Critical Data in Physics and Chemistry: David R. Lide, Jr. Bettijoyce B. Lide

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Encyclopedia of Physical Science and Technology EN004-154 June 8, 2001 16:20

Critical Data in Physics


and Chemistry
David R. Lide, Jr.
National Institute of Standards and Technology (Retired)

Bettijoyce B. Lide
National Institute of Standards and Technology

I. History of Critical
Data Programs
II. Role of the National Institute
of Standards and Technology
III. International Activities
IV. Methods of Evaluating Data
V. Dissemination of Critical Data

GLOSSARY traditionally been published as handbooks or tables, which


have served as basic reference sources for the technical
Data Factual information, usually expressed in numerical community. Modern computer technology makes it pos-
form, that is derived from an experiment, observation, sible to express these collections as databases, which can
or calculation. be stored, retrieved, and accessed in a variety of ways.
Database An organized collection of data; the term gen-
erally implies that the data are expressed in a computer-
readable form.
I. HISTORY OF CRITICAL
Evaluated data Data whose accuracy has been assessed
DATA PROGRAMS
through an independent review.
As physics and chemistry developed into active scientific
disciplines in the eighteenth and nineteenth centuries, it
THE TERM CRITICAL DATA refers to measured prop- was recognized that the numerical results of experiments
erties of well-defined substances or materials that have and observations were valuable to other researchers, of-
been carefully evaluated and organized for convenient use ten many years after the data were initially obtained. The
by scientists and engineers. Such collections of data have archival research literature began to serve the function of a

1
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2 Critical Data in Physics and Chemistry

storage medium for these data. By the end of the nineteenth partment of Energy, Department of Defense, and National
century, this literature had grown to the point that locating Aeronautics and Space Agency have supported selected
previously published data was time consuming and diffi- data projects relevant to their missions. Certain industrial
cult. This led to the practice of compiling data from the trade associations (e.g., Gas Producers Association and
primary literature and publishing this information in hand- International Copper Research Association) have spon-
book format. An early example was the Landolt-Börnstein sored data compilation projects of interest to the industry
tables, Numerical Data and Functional Relationships in in question. Many professional societies take an active
Science and Technology, which first appeared in 1883. Sci- role in sponsoring or coordinating data projects. Exam-
entists came to depend on such tables and handbooks for ples include the American Institute of Chemical Engineers
quick access to data on physical and chemical properties. (Design Institute for Physical Property Data), ASM Inter-
The process of compiling data from the literature often national (Alloy Phase Diagram Program), and American
revealed inconsistencies and discrepancies, which indi- Society of Mechanical Engineers (steam properties and
cated errors in the original research. Thus, it became evi- other data). The National Academy of Sciences–National
dent that some form of critical selection or evaluation of Research Council has helped to assess needs for data and
the published data was highly desirable. The first broad- has examined several national issues associated with ac-
coverage handbook to attempt this was the International cess by scientists to data needed in their research.
Critical Tables, a seven-volume set of data books pub-
lished in the 1920s. Experts from many nations evalu-
ated the available data in their specialty areas and selected III. INTERNATIONAL ACTIVITIES
recommended values for the final publication. Further ef-
forts of this nature were started in the 1930s and 1940s Like many other aspects of science, data compilation ef-
in such important areas of physical science as thermody- forts can be carried out more efficiently if there is co-
namics and atomic physics. In the 1950s, programs for the operation at an international level. This is particularly
collection and evaluation of data in nuclear physics were important when physical and chemical data affect tech-
established at Brookhaven and Oak Ridge National Labo- nological issues, such as performance specifications for
ratories. As scientific research has expanded and the tech- articles in international trade or rules for custody trans-
nological applications of research findings have increased, fer of commodities. An early example of the need for
it has become more and more evident that a critically eval- international agreement on physical data is provided by
uated base of physical and chemical data is essential for the International Association for the Properties of Steam
the orderly progress of science and technology. (IAPS). This group was established more than 60 years
ago with the aim of reaching international agreement on
the thermophysical properties of water and steam, which
II. ROLE OF THE NATIONAL INSTITUTE are crucial in specifying the performance of turbines, boil-
OF STANDARDS AND TECHNOLOGY ers, and pumps. Its international steam tables have been
adopted as standards for trade and commerce, as well as
Scientists from the U.S. National Bureau of Standards for scientific applications.
(NBS), whose name was changed to the National Institute Several international scientific unions have played a role
of Standards and Technology (NIST) in 1988, played a in data compilation. In particular, the International Union
prominent part in these early critical data projects. In the of Pure and Applied Chemistry sponsors projects that deal
mid-1960s, NBS was designated as the national focal point with various types of chemical data. Unions in the geo-
for such activities in the United States. It undertook the sciences are concerned with data such as terrestrial mag-
coordination of a set of activities, known as the National netism, where correlations with geographic location are
Standard Reference Data System (NSRDS), conducted at important. There are also intergovernmental organizations
universities, industrial laboratories, and NIST itself. Some such as the International Atomic Energy Agency (IAEA),
of these projects were long-term efforts, referred to as which has evaluated data from nuclear and atomic physics
data centers, in which relevant data were systematically that are important in energy research and development.
compiled from the scientific literature, evaluated, and or- In 1966, the International Council of Scientific Unions
ganized into databases. Examples of such data centers established a standing Committee on Data for Science and
include the Atomic Energy Levels Data Center and the Technology (CODATA), with a mandate to improve the
Crystal Data Center at NIST and the Radiation Chemistry quality, reliability, processing, management, and acces-
Data Center at Notre Dame University. sibility of data of importance to science and technology.
Other organizations have also been active in data com- CODATA has representation from the major countries and
pilation and evaluation. Such federal agencies as the De- scientific unions and approaches data issues on both an
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Critical Data in Physics and Chemistry 3

TABLE I CODATA 1998 Recommended Values of the Fundamental Physical Constants


Relative std.
Quantity Symbol Value Unit uncert. ur

Speed of light in vacuum c, c0 299 792 458 m s−1 (exact)


Magnetic constant µ0 4π × 10−7 N A−2 (exact)
= 12.566 370 614 . . . × 10−7 N A−2
Electric constant 1/µ0 c2 ε0 8.854 187 817 . . . × 10−12 F m−1 (exact)
Newtonian constant of gravitation G 6.673(10) × 10−11 m3 kg−1 s−2 1.5 × 10−3
Planck constant h/2π h 6.626 068 76(52) × 10−34 Js 7.8 × 10−8
h 1.054 571 596(82) × 10−34 Js 7.8 × 10−8
Elementary charge e 1.602 176 462(63) × 10−19 C 3.9 × 10−8
Magnetic flux quantum h/2e 0 2.067 833 636(81) × 10−15 Wb 3.9 × 10−8
Conductance quantum 2e2 / h G0 7.748 091 696(28) × 10−5 S 3.7 × 10−9
Electron mass me 9.109 381 88(72) × 10−31 kg 7.9 × 10−8
Proton mass mp 1.672 621 58(13) × 10−27 kg 7.9 × 10−8
Proton-electron mass ratio m p /m e 1 836.152 6675(39) 2.1 × 10−9
Fine-structure constant e2 /4π 0 h c α 7.297 352 533(27) × 10−3 3.7 × 10−9
Inverse fine-structure constant α −1 137.035 999 76(50) 3.7 × 10−9
Rydberg constant α 2 m e c/2h R∞ 10 973 731.568 548(83) m−1 7.6 × 10−12
Avogadro constant NA , L 6.022 141 99(47) × 1023 mol−1 7.9 × 10−8
Faraday constant NA e F 96 485.3415(39) C mol−1 4.0 × 10−8
Molar gas constant R 8.314 472(15) J mol−1 K−1 1.7 × 10−6
Boltzmann constant R/NA k 1.380 650 3(24) × 10−23 J K−1 1.7 × 10−6
Stefan-Boltzmann constant σ 5.670 400(40) × 10−8 W m−2 K−4 7.0 × 10−6
(π 2 /60)k 4 /h 3 c2
Non-SI units accepted for use with the SI
Electron volt: (e/C) J eV 1.602 176 462(63) × 10−19 J 3.9 × 10−8
(Unified) atomic mass unit u 1.660 538 73(13) × 10−27 kg 7.9 × 10−8
1u = m u = 121
m(12 C)
= 10−3 kg mol−1 /NA

Source: Mohr, P. J., and Taylor, B. N., J. Phys. Chem. Ref. Data, in press.

international and an interdisciplinary basis. It has provided ments in common. However, a technique effective for one
recommended sets of certain key values, such as funda- physical property may be entirely unsuitable for another.
mental physical constants and important thermodynamic A common feature of most evaluation efforts is the re-
properties, which have been generally accepted for inter- duction of all published data to the same basis. Corrections
national use. CODATA also serves as a forum for reaching for changes in temperature scale, atomic weights, funda-
consensus on standards and formats for presenting data, mental constants, conversion relations, and other factors
and it carries out several educational activities such as must be made before a true evaluation can be started. This
conferences, training courses, and preparation of tutorial often requires considerable effort to deduce the subsidiary
publications. data used by the original authors.
The best current values of some frequently used physi- Critical evaluation implies a process of independent as-
cal and chemical data published by various data evaluation sessment of the reliability of data appearing in the lit-
groups are presented in Tables I to VIII. erature. This process should be conducted by scientists
who are familiar with the type of data in question and
who have had experience in the measurement techniques
IV. METHODS OF EVALUATING DATA that produced the data. There are usually some subjective
elements of the evaluation process. For example, the eval-
The question of how to evaluate published data is not easy uator will generally have a feeling for the accuracy of each
to answer in a general way. Specific methodologies have measurement technique and for the pitfalls that can lead
been developed in some fields, and these have certain ele- to unsuspected errors. The reputation of the researcher or
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4 Critical Data in Physics and Chemistry

TABLE II IUPAC Atomic Weights (1995)


Atomic Atomic Atomic Atomic
number Name Symbol weight number Name Symbol weight

1 Hydrogen H 1.00794(7) 56 Barium Ba 137.327(7)


2 Helium He 4.002602(2) 57 Lanthanum La 138.9055(2)
3 Lithium Li 6.941(2) 58 Cerium Ce 140.116(1)
4 Beryllium Be 9.012182(3) 59 Praseodymium Pr 140.90765(2)
5 Boron B 10.811(7) 60 Neodymium Nd 144.24(3)
6 Carbon C 12.0107(8) 61 Promethium Pm [145]
7 Nitrogen N 14.00674(7) 62 Samarium Sm 150.36(3)
8 Oxygen O 15.9994(3) 63 Europium Eu 151.964(1)
9 Fluorine F 18.9984032(5) 64 Gadolinium Gd 157.25(3)
10 Neon Ne 20.1797(6) 65 Terbium Tb 158.92534(2)
11 Sodium Na 22.989770(2) 66 Dysprosium Dy 162.50(3)
12 Magnesium Mg 24.3050(6) 67 Holmium Ho 164.93032(2)
13 Aluminum Al 26.981538(2) 68 Erbium Er 167.26(3)
14 Silicon Si 28.0855(3) 69 Thulium Tm 168.93421(2)
15 Phosphorus P 30.973761(2) 70 Ytterbium Yb 173.04(3)
16 Sulfur S 32.066(6) 71 Lutetium Lu 174.967(1)
17 Chlorine Cl 35.4527(9) 72 Hafnium Hf 178.49(2)
18 Argon Ar 39.948(1) 73 Tantalum Ta 180.9479(1)
19 Potassium K 39.0983(1) 74 Tungsten W 183.84(1)
20 Calcium Ca 40.078(4) 75 Rhenium Re 186.207(1)
21 Scandium Sc 44.955910(8) 76 Osmium Os 190.23(3)
22 Titanium Ti 47.867(1) 77 Iridium Ir 192.217(3)
23 Vanadium V 50.9415(1) 78 Platinum Pt 195.078(2)
24 Chromium Cr 51.9961(6) 79 Gold Au 196.96655(2)
25 Manganese Mn 54.938049(9) 80 Mercury Hg 200.59(2)
26 Iron Fe 55.845(2) 81 Thallium Tl 204.3833(2)
27 Cobalt Co 58.933200(9) 82 Lead Pb 207.2(1)
28 Nickel Ni 58.6934(2) 83 Bismuth Bi 208.98038(2)
29 Copper Cu 63.546(3) 84 Polonium Po [209]
30 Zinc Zn 65.39(2) 85 Astatine At [210]
31 Gallium Ga 69.723(1) 86 Radon Rn [222]
32 Germanium Ge 72.61(2) 87 Francium Fr [223]
33 Arsenic As 74.92160(2) 88 Radium Ra [226]
34 Selenium Se 78.96(3) 89 Actinium Ac [227]
35 Bromine Br 79.904(1) 90 Thorium Th 232.0381(1)
36 Krypton Kr 83.80(1) 91 Protactinium Pa 231.03588(2)
37 Rubidium Rb 85.4678(3) 92 Uranium U 238.0289(1)
38 Strontium Sr 87.62(1) 93 Neptunium Np [237]
39 Yttrium Y 88.90585(2) 94 Plutonium Pu [244]
40 Zirconium Zr 91.224(2) 95 Americium Am [243]
41 Niobium Nb 92.90638(2) 96 Curium Cm [247]
42 Molybdenum Mo 95.94(1) 97 Berkelium Bk [247]
43 Technetium Tc [98] 98 Californium Cf [251]
44 Ruthenium Ru 101.07(2) 99 Einsteinium Es [252]
45 Rhodium Rh 102.90550(2) 100 Fermium Fm [257]
46 Palladium Pd 106.42(1) 101 Mendelevium Md [258]
47 Silver Ag 107.8682(2) 102 Nobelium No [259]
48 Cadmium Cd 112.411(8) 103 Lawrencium Lr [262]
49 Indium In 114.818(3) 104 Rutherfordium Rf [261]
50 Tin Sn 118.710(7) 105 Dubnium Db [262]
51 Antimony Sb 121.760(1) 106 Seaborgium Sg [266]
52 Tellurium Te 127.60(3) 107 Bohrium Bh [264]
53 Iodine I 126.90447(3) 108 Hassium Hs [269]
54 Xenon Xe 131.29(2) 109 Meitnerium Mt [268]
55 Cesium Cs 132.90545(2)

Note: Numbers in parentheses represent the uncertainty in the last digit. Values in brackets are the mass numbers of the longest-lived isotope of
elements for which a standard atomic weight cannot be defined.
Source: Pure Appl. Chem. 68, 2339 (1996).
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Critical Data in Physics and Chemistry 5

TABLE III Ground Levels and Ionization Energies for the Neutral Atoms
Ground-state Ground Ionization
Z Element configuration level energy (eV)

2
1 H Hydrogen 1s S1/2 13.5984
2 He Helium 1s 2 1
S0 24.5874
3 Li Lithium 1s 2 2s 2
S1/2 5.3917
4 Be Beryllium 1s 2 2s 2 1
S0 9.3227
2 o
5 B Boron 1s 2 2s 2 2 p P1/2 8.2980
6 C Carbon 1s 2 2s 2 2 p 2 3
P0 11.2603
4 o
7 N Nitrogen 1s 2 2s 2 2 p 3 S3/2 14.5341
8 O Oxygen 1s 2 2s 2 2 p 4 3
P2 13.6181
2 o
9 F Fluorine 1s 2 2s 2 2 p 5 P3/2 17.4228
10 Ne Neon 1s 2 2s 2 2 p 6 1
S0 21.5646
2
11 Na Sodium [Ne] 3s S1/2 5.1391
12 Mg Magnesium [Ne] 3s 2 1
S0 7.6462
2 o
13 Al Aluminum [Ne] 3s 2 3 p P1/2 5.9858
14 Si Silicon [Ne] 3s 2 3 p 2 3
P0 8.1517
4 o
15 P Phosphorus [Ne] 3s 2 3 p 3 S3/2 10.4867
16 S Sulfur [Ne] 3s 2 3 p 4 3
P2 10.3600
2 o
17 Cl Chlorine [Ne] 3s 2 3 p 5 P3/2 12.9676
18 Ar Argon [Ne] 3s 2 3 p 6 1
S0 15.7596
2
19 K Potassium [Ar] 4s S1/2 4.3407
20 Ca Calcium [Ar] 4s 2 1
S0 6.1132
21 Sc Scandium [Ar] 3d 4s 2 2
D3/2 6.5615
22 Ti Titanium [Ar] 3d 2 4s 2 3
F2 6.8281
23 V Vanadium [Ar] 3d 3 4s 2 4
F3/2 6.7462
24 Cr Chromium [Ar] 3d 5 4s 7
S3 6.7665
25 Mn Manganese [Ar] 3d 5 4s 2 6
S5/2 7.4340
26 Fe Iron [Ar] 3d 6 4s 2 5
D4 7.9024
27 Co Cobalt [Ar] 3d 7 4s 2 4
F9/2 7.8810
28 Ni Nickel [Ar] 3d 8 4s 2 3
F4 7.6398
29 Cu Copper [Ar] 3d 10 4s 2
S1/2 7.7264
30 Zn Zinc [Ar] 3d 10 4s 2 1
S0 9.3942
2 o
31 Ga Gallium [Ar] 3d 10 4s 2 4 p P1/2 5.9993
32 Ge Germanium [Ar] 3d 10 4s 2 4 p 2 3
P0 7.8994
4 o
33 As Arsenic [Ar] 3d 10 4s 2 4 p 3 S3/2 9.7886
34 Se Selenium [Ar] 3d 10 4s 2 4 p 4 3
P2 9.7524
2 o
35 Br Bromine [Ar] 3d 10 4s 2 4 p 5 P3/2 11.8138
36 Kr Krypton [Ar] 3d 10 4s 2 4 p 6 1
S0 13.9996
2
37 Rb Rubidium [Kr] 5s S1/2 4.1771
38 Sr Strontium [Kr] 5s 2 1
S0 5.6949
39 Y Yttrium [Kr] 4d 5s 2 2
D3/2 6.2171
40 Zr Zirconium [Kr] 4d 2 5s 2 3
F2 6.6339
41 Nb Niobium [Kr] 4d 4 5s 6
D1/2 6.7589
42 Mo Molybdenum [Kr] 4d 5 5s 7
S3 7.0924
43 Tc Technetium [Kr] 4d 5 5s 2 6
S5/2 7.28
44 Ru Ruthenium [Kr] 4d 7 5s 5
F5 7.3605
45 Rh Rhodium [Kr] 4d 8 5s 4
F9/2 7.4589
46 Pd Palladium [Kr] 4d 10 1
S0 8.3369
47 Ag Silver [Kr] 4d 10 5s 2
S1/2 7.5762
48 Cd Cadmium [Kr] 4d 10 5s 2 1
S0 8.9938
2 o
49 In Indium [Kr] 4d 10 5s 2 5 p P1/2 5.7864
50 Sn Tin [Kr] 4d 10 5s 2 5 p 2 3
P0 7.3439
4 o
51 Sb Antimony [Kr] 4d 10 5s 2 5 p 3 S3/2 8.6084
52 Te Tellurium [Kr] 4d 10 5s 2 5 p 4 3
p2 9.0096
2 o
53 I Iodine [Kr] 4d 10 5s 2 5 p 5 P3/2 10.4513
54 Xe Xenon [Kr] 4d 10 5s 2 5 p 6 1
S0 12.1298
2
55 Cs Cesium [Xe] 6s S1/2 3.8939
56 Ba Barium [Xe] 6s 2 1
S0 5.2117
57 La Lanthanum [Xe] 5d 6s 2 2
D3/2 5.5769
1 o
58 Ce Cerium [Xe] 4 f 5d 6s 2 G4 5.5387

Continues
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6 Critical Data in Physics and Chemistry

TABLE III (Continued )

Ground-state Ground Ionization


Z Element configuration level energy (eV)

4 o
59 Pr Praseodymium [Xe] 4 f 3 6s 2 I9/2 5.473
60 Nd Neodymium [Xe] 4 f 4 6s 2 5
I4 5.5250
6 o
61 Pm Promethium [Xe] 4 f 5 6s 2 H5/2 5.582
62 Sm Samarium [Xe] 4 f 6 6s 2 7
F0 5.6436
8 o
63 Eu Europium [Xe] 4 f 7 6s 2 S7/2 5.6704
9 o
64 Gd Gadolinium [Xe] 4 f 7 5d 6s 2 D2 6.1501
6 o
65 Tb Terbium [Xe] 4 f 9 6s 2 H15/2 5.8638
66 Dy Dysprosium [Xe] 4 f 10 6s 2 5
I8 5.9389
4 o
67 Ho Holmium [Xe] 4 f 11 6s 2 I15/2 6.0215
68 Er Erbium [Xe] 4 f 12 6s 2 3
H6 6.1077
2 o
69 Tm Thulium [Xe] 4 f 13 6s 2 F7/2 6.1843
70 Yb Ytterbium [Xe] 4 f 14 6s 2 1
S0 6.2542
71 Lu Lutetium [Xe] 4 f 14 5d 6s 2 2
D3/2 5.4259
72 Hf Hafnium [Xe] 4 f 14 5d 2 6s 2 3
F2 6.8251
73 Ta Tantalum [Xe] 4 f 14 5d 3 6s 2 4
F3/2 7.5496
74 W Tungsten [Xe] 4 f 14 5d 4 6s 2 5
D0 7.8640
75 Re Rhenium [Xe] 4 f 14 5d 5 6s 2 6
S5/2 7.8335
76 Os Osmium [Xe] 4 f 14 5d 6 6s 2 5
D4 8.4382
77 Ir Iridium [Xe] 4 f 14 5d 7 6s 2 4
F9/2 8.9670
78 Pt Platinum [Xe] 4 f 14 5d 9 6s 3
D3 8.9587
79 Au Gold [Xe] 4 f 14 5d 10 6s 2
S1/2 9.2255
80 Hg Mercury [Xe] 4 f 14 5d 10 6s 2 1
S0 10.4375
2 o
81 Tl Thallium [Xe] 4 f 14 5d 10 6s 2 6 p P1/2 6.1082
82 Pb Lead [Xe] 4 f 14 5d 10 6s 2 6 p 2 3
P0 7.4167
4 o
83 Bi Bismuth [Xe] 4 f 14 5d 10 6s 2 6 p 3 S3/2 7.2856
84 Po Polonium [Xe] 4 f 14 5d 10 6s 2 6 p 4 3
P2 8.417?
2 o
85 At Astatine [Xe] 4 f 14 5d 10 6s 2 6 p 5 P3/2
86 Rn Radon [Xe] 4 f 14 5d 10 6s 2 6 p 6 1
S0 10.7485
2
87 Fr Francium [Rn] 7s S1/2 4.0727
88 Ra Radium [Rn] 7s 2 1
S0 5.2784
89 Ac Actinium [Rn] 6d 7s 2 2
D3/2 5.17
90 Th Thorium [Rn] 6d 2 7s 2 3F2 6.3067
91 Pa Protactinium [Rn] 5 f 2 (3 H4 ) 6d 7s 2 (4, 32 )11/2 5.89
92 U Uranium [Rn] 5 f 3 (4 Io9/2 ) 6d 7s 2 ( 92 , 32 )o6 6.1941
93 Np Neptunium [Rn] 5 f 4 (5 I4 ) 6d 7s 2 (4, 32 )11/2 6.2657
94 Pu Plutonium [Rn] 5 f 6 7s 2 7
F0 6.0262
8 o
95 Am Americium [Rn] 5 f 7 7s 2 S7/2 5.9738
9 o
96 Cm Curium [Rn] 5 f 7 6d 7s 2 D2 5.9915
6 o
97 Bk Berkelium [Rn] 5 f 9 7s 2 H15/2 6.1979
98 Cf Californium [Rn] 5 f 10 7s 2 5
I8 6.2817
4 o
99 Es Einsteinium [Rn] 5 f 11 7s 2 I15/2 6.42
100 Fm Fermium [Rn] 5 f 12 7s 2 3
H6 6.50
2 o
101 Md Mendelevium [Rn] 5 f 13 7s 2 F7/2 6.58
102 No Nobelium [Rn] 5 f 14 7s 2 1
S0 6.65
2 o
103 Lr Lawrencium [Rn] 5 f 14 7s 2 7 p? P1/2 ? 4.9?
104 Rf Rutherfordium [Rn] 5 f 14 6d 2 7s 2 ? 3
F2 ? 6.0?

Source: Martin, W. C., and Musgrove, A. (2001). NIST Physics Reference Data Web Site, www.
physics.nist.gov/PhysRefData/.

laboratory from which the data came is also a factor, since calorimetric measurements of enthalpy changes in chem-
some research groups are known to take greater care in ical reactions, heat capacity measurements, equilibrium
their work than others. constants as a function of temperature, entropy calculated
When there is a high degree of interrelation among a set from molecular constants, and perhaps other pertinent
of independently measured quantities, a systematic cor- experimental measurements. When reduced to standard
relation scheme can be devised. Thermodynamics pro- temperature and pressure, all the data relevant to a given
vides the prime example. Here one may have available reaction must satisfy well-established thermodynamic
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Critical Data in Physics and Chemistry 7

TABLE IV Properties of Selected Nuclides


Abundance Atomic Mass excess Magnetic Quadrupole
or half-life mass (u) (keV) Spin moment (µN ) moment (fm2 )

1n 10.3 m 1.008 664 916 8071.317 1/2 −1.91304272


1H 99.985% 1.007 825 032 7288.969 1/2 +2.7928473
2H 0.015% 2.014 101 778 13135.720 1 +0.8574382 +0.286
3H 12.32 y 3.016 049 268 14949.794 1/2 +2.9789625
3 He 0.000137% 3.016 029 310 14931.204 1/2 −2.1276248
4 He 99.999863% 4.002 603 250 2424.911 0 0
6 Li 7.5% 6.015 122 3 14086.312 1 +0.8220467 −0.082
7 Li 92.5% 7.016 004 0 14907.673 3/2 +3.256427 −4.01
9 Be 100% 9.012 182 1 11347.584 3/2 −1.1779 +5.288
10 B 19.9% 10.012 937 0 12050.761 3 +1.800645 +8.459
11 B 80.1% 11.009 305 5 8667.984 3/2 +2.688649 +4.059
12 C 98.90% 12 0 0 0
13 C 1.10% 13.003 354 838 3125.011 1/2 +0.7024118
14 C 5715 y 14.003 241 988 3019.892 0 0
14 N 99.634% 14.003 074 005 2863.417 1 +0.4037610 +2.02
15 N 0.366% 15.000 108 898 101.438 1/2 −0.2831888
16 O 99.762% 15.994 914 622 −4736.998 0 0
19 F 100% 18.998 403 21 −1487.405 1/2 +2.628868
23 Na 100% 22.989 769 7 −9529.485 3/2 +2.217522 +10.89
31 P 100% 30.973 761 5 −24440.991 1/2 +1.13160
32 S 95.02% 31.972 070 7 −26015.981 0 0
34 S 4.21% 33.967 866 8 −29931.850 0 0
55 Fe 2.73 y 54.938 298 029 −57475.007 3/2
60 Co 5.271 y 59.933 822 196 −61644.218 5 +3.799 +44
90 Sr 29.1 y 89.907 737 596 −85941.863 0
131 I 8.040 d 130.906 124 168 −87444.761 7/2 +2.742 −40
222 Rn 3.8235 d 222.017 570 16366.787 0 0
226 Ra 1599 y 226.025 403 23662.324 0 0
235 U 0.7200% 235.043 923 40914.062 7/2 −0.38 +493.6
238 U 99.2745% 238.050 783 47303.664 0 0
239 Pu 24110 y 239.052 157 48583.478 1/2 +0.203

Source: Lide, D. R., ed. (1999). “CRC Handbook of Chemistry and Physics,” CRC Press, Boca Raton, FL.

relations. Furthermore, the energy and entropy changes cross sections, theory can be used to place limits on data
for a process must be independent of the path followed. values.
These constraints enable one to check the internal con- Ideally, the aim of every evaluation effort is to present a
sistency of large data sets whose individual values come “best” or “recommended” value plus a quantitative state-
from a variety of sources. In this way, faulty measurements ment of its uncertainty. If the dominant errors are truly ran-
are frequently recognized that would not be suspected if dom, a standard deviation or 95% confidence interval can
examined in isolation. be quoted, which gives the user a sound basis for deciding
Chemical thermodynamic data and thermophysical the implication of this uncertainty for a given problem.
properties of fluids are routinely evaluated in this man- However, this situation almost never applies; instead, the
ner. Computer programs have been developed to assess most significant errors are usually systematic in nature,
large data sets and select recommended values through deriving from either the initial measurement process or
a least-squares or similar fitting procedure. Other fields the model used in analyzing the data. The correlations of
amenable to this approach are atomic and molecular spec- large data sets described above are very helpful in un-
troscopy, nuclear physics, and crystallography. In still covering such systematic errors, but the judgment of an
other cases, such as chemical kinetics and atomic collision experienced researcher is also extremely important.
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8 Critical Data in Physics and Chemistry

TABLE V Specific Heat, Thermal Conductivity, and Coeffi- TABLE V (Continued )


cient of Thermal Expansion of the Solid Elements at 25◦ C
cp λ α
cp λ α Element (J g−1 K−1 ) (W cm−1 K−1 ) (10−6 K−1 )
Element (J g−1 K−1 ) (W cm−1 K−1 ) (10−6 K−1 )
Rhodium 0.243 1.50 8.2
Aluminum 0.897 2.37 23.1
Rubidium 0.363 0.58 —
Antimony 0.207 0.24 11.0
Ruthenium 0.238 1.17 6.4
Arsenic 0.329 0.50 15.5
Samarium 0.197 0.13 12.7
Barium 0.204 0.18 20.6
Scandium 0.568 0.16 10.2
Beryllium 1.825 2.00 11.3
Silicon 0.705 1.48 2.6
Bismuth 0.122 0.08 13.4 Silver 0.235 4.29 18.9
Boron 1.026 0.27 4.7 Sodium 1.228 1.41 71
Cadmium 0.232 0.97 30.8 Strontium 0.301 0.35 22.5
Calcium 0.647 2.00 22.3 Sulfur (rhombic) 0.710 0.27 —
Carbon (diamond) 0.509 9.00 1.1 Tantalum 0.140 0.58 6.3
Cerium 0.192 0.11 5.2 Technetium — 0.51 —
Cesium 0.242 0.36 — Terbium 0.182 0.11 10.3
Chromium 0.449 0.94 4.9 Thallium 0.129 0.46 29.9
Cobalt 0.421 1.00 13.0 Thorium 0.113 0.540 11.0
Copper 0.385 4.01 16.5 Thulium 0.160 0.17 13.3
Dysprosium 0.173 0.11 9.9 Tin 0.228 0.67 22.0
Erbium 0.168 0.15 12.2 Titanium 0.523 0.22 8.6
Europium 0.182 0.14 35.0 Tungsten 0.132 1.74 4.5
Gadolinium 0.236 0.11 9.4 Uranium 0.116 0.28 13.9
Gallium 0.371 0.41 — Vanadium 0.489 0.31 8.4
Germanium 0.320 0.60 5.8 Ytterbium 0.155 0.39 26.3
Gold 0.129 3.17 14.2 Yttrium 0.298 0.17 10.6
Hafnium 0.144 0.23 5.9 Zinc 0.388 1.16 30.2
Holmium 0.165 0.16 11.2 Zirconium 0.278 0.227 5.7
Indium 0.233 0.82 32.1
Source: Adapted from Anderson, H. L., ed. (1989). “A Physicist’s
Iridium 0.131 1.47 6.4
Desk Reference,” Springer-Verlag, New York; with updates from Lide,
Iron 0.449 0.8 11.8 D. R., ed. (1999). “CRC Handbook of Chemistry and Physics,” CRC
Lanthanum 0.195 0.13 12.1 Press, Boca Raton, FL.
Lead 0.129 0.35 28.9
Lithium 3.582 0.85 46
Lutetium 0.154 0.16 9.9
V. DISSEMINATION OF CRITICAL DATA
Magnesium 1.023 1.56 24.8
Manganese 0.479 0.08 21.7
Traditionally, books and journals have served as the major
Mercury 0.140 0.08 —
vehicles for disseminating critically evaluated data to sci-
Molybdenum 0.251 1.38 4.8
entists and engineers. Several widely used series of tables
Neodymium 0.190 0.17 9.6
have already been mentioned. The Journal of Physical
Nickel 0.444 0.91 13.4
and Chemical Reference Data, published jointly by the
Niobium 0.265 0.54 7.3
American Institute of Physics and the National Institute
Osmium 0.130 0.88 5.1
of Standards and Technology, is one of the major vehicles
Palladium 0.246 0.72 11.8
for disseminating tables of recommended data and docu-
Phosphorus (white) 0.769 0.24 —
menting the methodology used for their evaluation. This
Platinum 0.133 0.72 8.8
journal is published bimonthly, with supplements appear-
Plutonium — 0.07 46.7
ing on an irregular basis. More specialized data journals
Potassium 0.757 1.02 —
also exist—for example, Atomic Data and Nuclear Data
Praseodymium 0.193 0.13 6.7
Tables (Academic Press) and Journal of Phase Equilibria
Promethium — 0.15 11
(ASM International). Finally, many technical publishers
Rhenium 0.137 0.48 6.2
offer monographs and handbooks containing evaluated
Continues data on specialized subjects.
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Critical Data in Physics and Chemistry 9

TABLE VI Vapor Pressure of the Elements


Temperature (◦ C) for the indicated pressurea

Element 1 Pa 10 Pa 100 Pa 1 kPa 10 kPa 100 kPa

Ag Silver 1010 1140 1302 1509 1782 2160


Al Aluminum 1209 1359 1544 1781 2091 2517
Ar Argon — −226.4 s −220.3 s −212.4 s −201.7 s −186.0
As Arsenic 280 s 323 s 373 s 433 s 508 s 601 s
At Astatine 88 s 119 s 156 s 202 s 258 s 334
Au Gold 1373 1541 1748 2008 2347 2805
B Boron 2075 2289 2549 2868 3272 3799
Ba Barium 638 s 765 912 1115 1413 1897
Be Beryllium 1189 s 1335 1518 1750 2054 2469
Bi Bismuth 668 768 892 1052 1265 1562
Br2 Bromine −87.7 s −71.8 s −52.7 s −29.3 s 2.5 58.4
C Carbon (graphite) — 2566 s 2775 s 3016 s 3299 s 3635 s
Ca Calcium 591 s 683 s 798 s 954 1170 1482
Cd Cadmium 257 s 310 s 381 472 594 767
Ce Cerium 1719 1921 2169 2481 2886 3432
Cl2 Chlorine −145 s −133.7 s −120.2 s −103.6 s −76.1 −34.2
Co Cobalt 1517 1687 1892 2150 2482 2925
Cr Chromium 1383 s 1534 s 1718 s 1950 2257 2669
Cs Cesium 144.5 195.6 260.9 350.0 477.1 667.0
Cu Copper 1236 1388 1577 1816 2131 2563
Dy Dysprosium 1105 s 1250 s 1431 1681 2031 2558
Er Erbium 1231 s 1390 s 1612 1890 2279 2859
Eu Europium 590 s 684 s 799 s 961 1179 1523
F2 Fluorine −235 s −229.5 s −222.9 s −214.8 −204.3 −188.3
Fe Iron 1455 s 1617 1818 2073 2406 2859
Fr Francium 131 181 246 335 465 673
Ga Gallium 1037 1175 1347 1565 1852 2245
Gd Gadolinium 1563 1755 1994 2300 2703 3262
Ge Germanium 1371 1541 1750 2014 2360 2831
H2 Hydrogen — — — — −258.6 −252.8
He Helium — — — — −270.6 −268.9
Hf Hafnium 2416 2681 3004 3406 3921 4603
Hg Mercury 42.0 76.6 120.0 175.6 250.3 355.9
Ho Holmium 1159 s 1311 s 1502 1767 2137 2691
I2 Iodine −12.8 s 9.3 s 35.9 s 68.7 s 108 s 184.0
In Indium 923 1052 1212 1417 1689 2067
Ir Iridium 2440 s 2684 2979 3341 3796 4386
K Potassium 200.2 256.5 328 424 559 756.2
Kr Krypton −214.0 s −208.0 s −199.4 s −188.9 s −174.6 s −153.6
La Lanthanum 1732 1935 2185 2499 2905 3453
Li Lithium 524.3 612.3 722.1 871.2 1064.3 1337.1
Lu Lutetium 1633 s 1829.8 2072.8 2380 2799 3390
Mg Magnesium 428 s 500 s 588 s 698 859 1088
Mn Manganese 955 s 1074 s 1220 s 1418 1682 2060
Mo Molybdenum 2469 s 2721 3039 3434 3939 4606
N2 Nitrogen −236 s −232 s −226.8 s −220.2 s −211.1 s −195.9
Na Sodium 280.6 344.2 424.3 529 673 880.2

Continues
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10 Critical Data in Physics and Chemistry

TABLE VI (Continued )

Temperature (◦ C) for the indicated pressurea

Element 1 Pa 10 Pa 100 Pa 1 kPa 10 kPa 100 kPa

Nb Niobium 2669 2934 3251 3637 4120 4740


Nd Neodymium 1322.3 1501.2 1725.3 2023 2442 3063
Ne Neon −261 s −260 s −258 s −255 s −252 s −246.1
Ni Nickel 1510 1677 1881 2137 2468 2911
O2 Oxygen — — — −211.9 −200.5 −183.1
Os Osmium 2887 s 3150 3478 3875 4365 4983
P Phosphorus (white) 6s 34 s 69 115 180 276
P Phosphorus (red) 182 s 216 s 256 s 303 s 362 s 431 s
Pb Lead 705 815 956 1139 1387 1754
Pd Palladium 1448 s 1624 1844 2122 2480 2961
Po Polonium — — — 573 730.2 963.3
Pr Praseodymium 1497.7 1699.4 1954 2298 2781 3506
Pt Platinum 2057 2277 2542 2870 3283 3821
Pu Plutonium 1483 1680 1925 2238 2653 3226
Ra Radium 546 s 633 s 764 936 1173 1526
Rb Rubidium 160.4 212.5 278.9 368 496.1 685.3
Re Rhenium 3030 s 3341 3736 4227 4854 5681
Rh Rhodium 2015 2223 2476 2790 3132 3724
Rn Radon −163 s −152 s −139 s −121.4 s −97.6 s −62.3
Ru Ruthenium 2315 s 2538 2814 3151 3572 4115
S Sulfur 102 s 135 176 235 318 444
Sb Antimony 534 s 603 s 738 946 1218 1585
Sc Scandium 1372 s 1531 s 1733 1993 2340 2828
Se Selenium 227 279 344 431 540 685
Si Silicon 1635 1829 2066 2363 2748 3264
Sm Samarium 728 s 833 s 967 s 1148 1402 1788
Sn Tin 1224 1384 1582 1834 2165 2620
Sr Strontium 523 s 609 s 717 s 866 1072 1373
Ta Tantalum 3024 3324 3684 4122 4666 5361
Tb Terbium 1516.1 1706.1 1928 2232 2640 3218
Tc Technetium 2454 2725 3051 3453 3961 4621
Te Tellurium — — 502 615 768.8 992.4
Th Thorium 2360 2634 2975 3410 3986 4782
Ti Titanium 1709 1898 2130 2419 2791 3285
Tl Thallium 609 704 824 979 1188 1485
Tm Thulium 844 s 962 s 1108 s 1297 s 1548 1944
U Uranium 2052 2291 2586 2961 3454 4129
V Vanadium 1828 s 2016 2250 2541 2914 3406
W Tungsten 3204 s 3500 3864 4306 4854 5550
Xe Xenon −190 s −181 s −170 s −155.8 s −136.6 s −108.4
Y Yttrium 1610.1 1802.3 2047 2354 2763 3334
Yb Ytterbium 463 s 540 s 637 s 774 s 993 1192
Zn Zinc 337 s 397 s 477 579 717 912
Zr Zirconium 2366 2618 2924 3302 3780 4405
a
An “s” following an entry indicates the substance is solid at that temperature.
Source: Lide, D. R., ed. (1999). “CRC Handbook of Chemistry and Physics,” CRC Press, Boca
Raton, FL.
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Critical Data in Physics and Chemistry 11

TABLE VII Properties of Some Common Fluids

Normal melting Normal boiling Critical constants


Formula Fluid point (t m /◦ C) point (t b /◦ C) (t c /◦ C) ( p c /◦ C)

He Helium — –268.93 –267.96 0.23


Ar Argon –189.36a –185.85 –122.28 4.9
H2 Hydrogen –259.34 –252.87 –240.18 1.29
O2 Oxygen –218.79 –182.95 –118.56 5.04
N2 Nitrogen –210 –195.79 –146.94 3.39
CO Carbon monoxide –205.02 –191.5 –140.24 3.5
CO2 Carbon dioxide –56.56a –78.4b 30.98 7.38
H2 O Water 0.00 100.0 373.99 22.06
NH3 Ammonia –77.73 –33.33 132.4 11.35
N2 O Nitrous oxide –90.8 –88.48 36.42 7.26
CH4 Methane –182.47 –161.4 –82.59 4.6
C2 H6 Ethane –182.79 –88.6 32.17 4.87
C3 H8 Propane –187.63 –42.1 96.68 4.25
C4 H10 Butane –138.3 –0.5 151.97 3.8
C2 H4 Ethylene –169.15 –103.7 9.19 5.04
C6 H6 Benzene 5.49 80.09 288.9 4.9
CH4 O Methanol –97.53 64.6 239.4 8.08
C2 H6 O Ethanol –114.14 78.29 240.9 6.14
C3 H6 O Acetone –94.7 56.05 235.0 4.700
a
Solid–liquid–gas triple point.
b
Sublimation point, where vapor pressure of solid reaches 1 atm.
Source: Lide, D. R., ed. (1999). “CRC Handbook of Chemistry and Physics,” CRC Press, Boca
Raton, FL.

TABLE VIII CODATA Key Values for Thermodynamics


Relative
molecular ∆r H ◦ (298.15 K) S◦ (298.15 K) H ◦ (298.15 K) − H ◦ (0)
Substance State mass (kJ mol−1 ) (J K−1 mol−1 ) (kJ mol−1 )

O Gas 15.9994 249.18 ± 0.10 160.950 ± 0.003 6.725 ± 0.001


O2 Gas 31.9988 0 205.043 ± 0.005 8.680 ± 0.002
H Gas 1.00794 217.998 ± 0.006 114.608 ± 0.002 6.197 ± 0.001
H+ Aqueous 1.0074 0 0 —
H2 Gas 2.0159 0 130.571 ± 0.005 8.468 ± 0.001
OH− Aqueous 17.0079 –230.015 ± 0.040 –10.90 ± 0.20 —
H2 O Liquid 18.0153 –285.830 ± 0.040 69.95 ± 0.03 13.273 ± 0.020
H2 O Gas 18.0153 –241.826 ± 0.040 188.726 ± 0.010 9.905 ± 0.005
He Gas 4.00260 0 126.044 ± 0.002 6.197 ± 0.001
Ne Gas 20.179 0 146.219 ± 0.003 6.197 ± 0.001
Ar Gas 39.948 0 154.737 ± 0.003 6.197 ± 0.001
Kr Gas 83.80 0 163.976 ± 0.003 6.197 ± 0.001
Xe Gas 131.29 0 169.576 ± 0.003 6.197 ± 0.001
F Gas 18.99840 79.38 ± 0.30 158.642 ± 0.004 6.518 ± 0.001
F− Aqueous 18.9989 –335.35 ± 0.65 –13.8 ± 0.8 —
F2 Gas 37.9968 0 202.682 ± 0.005 8.825 ± 0.001
HF Gas 20.0063 −273.30 ± 0.70 173.670 ± 0.003 8.599 ± 0.001
Cl Gas 35.453 121.301 ± 0.008 165.081 ± 0.004 6.272 ± 0.001
Cl− Aqueous 35.4535 –167.080 ± 0.10 56.60 ± 0.20 —

Source: Excerpted from Cox, J. D., Wagman, D. D., and Medvedev, V. A. (1989). “CODATA Key Values for Thermo-
dynamics,” Hemisphere Publishing, New York.
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12 Critical Data in Physics and Chemistry

There are also many handbooks with a broad cover- users of data taken from the Internet to evaluate the relia-
age of physical and chemical data; among the most fa- bility of the source and assure that it is truly critical data.
miliar of these are the CRC Handbook of Chemistry and Some of the important World Wide Web sites for eval-
Physics, The Merck Index, and the American Institute of uated physical and chemical data are listed below:
Physics Handbook. Such handbooks are very convenient
r NIST Physics Data, covering fundamental constants,
data sources. While they cannot provide the backup doc-
umentation found in the data journals and monographs atomic spectra, and X-ray data; <physics.nist.gov>
r Fundamental Particle Properties, prepared by the
discussed above, the better ones carry references to more
detailed publications. Particle Data Group at Lawrence Berkeley
The decade beginning in 1990 saw a major change in Laboratories; <pdg.lbl.gov>
r NIST Chemistry Webbook, whose topics include
the manner of disseminating all types of information, and
scientific data were no exception. There are many advan- thermodynamics, ion energetics, infrared and mass
tages associated with computerized data dissemination. spectra, fluid properties, etc; <webbook.nist.gov>
r Beilstein and Gmelin Databases, covering chemical
One consideration is economic. While the costs incurred
with composition and printing have continued to increase, properties of organic and inorganic compounds;
computer costs for data storage and network communica- <www.beilstein.com>
r Hazardous Substances Data Bank, maintained by the
tions have decreased sharply, thus making the electronic
dissemination of critical data more attractive. Often the National Library of Medicine and containing physical
sheer volume of data makes a machine-readable format the property data as well as toxicity and safety data;
only practical way of storage and distribution. Electronic <chem.sis.nlm.nih.gov/hsdb/>
r CRCnetBase, including the Web version of the CRC
databases lend themselves to easy updating, thus promot-
ing the currency of the data, and search and retrieval are Handbook of Chemistry and Physics, The Merck
far more powerful. Having the data in electronic form also Index, and other databases; <www.crcpress.com>
makes it easier for the user to carry out calculations and
Crystallographic databases are maintained for different
look for trends that may lead to new scientific insights.
classes of materials:
Although these advantages were recognized much ear-
lier, the transition to electronic dissemination of scientific r Organic compounds: <www.ccdc.cam.ac.uk>
data did not begin to accelerate until the mid-1990s. Two r Inorganic compounds: <www.nist.gov/srd/> and
factors have contributed: the expanding availability of per- <www.fiz-karlsruhe.de>
sonal computers with CD ROM drives and the explosive r Metals: <www.tothcanada.com>
growth of the Internet. The CD ROM has proved to be r Proteins: <www.rcsb.org>
an efficient means for distributing physical and chemical r Nucleic acids: <www.ndbserver.rutgers.edu>
databases and the accompanying software to individuals
for use on their personal computers. The Internet provides SEE ALSO THE FOLLOWING ARTICLES
an inexpensive way for users to access large databases
maintained on institutional computers. The graphical ca- CHEMICAL THERMODYNAMICS • DATABASES • MECHAN-
pabilities of the World Wide Web have also contributed ICS, CLASSICAL • PERIODIC TABLE (CHEMISTRY) • THER-
by making it easy to display special characters, chemi- MAL ANALYSIS • THERMOMETRY
cal structures, and other non-text information. Finally, the
growing use of computers for data analysis, process sim-
BIBLIOGRAPHY
ulation, engineering design, and similar applications has
created a demand for data in digital, as opposed to paper, Anderson, H. L., ed. (1989). “A Physicist’s Desk Reference,” 2nd ed.,
format. Amer. Inst. of Phys., New York.
The ease with which information can be posted on the Dubois, J.-E., and Gershon, N., eds. (1996). “The Information Revolu-
Internet has had one unfortunate consequence. There are a tion: Impact on Science and Technology,” Springer-Verlag, Berlin.
Glaeser, P. S., ed. (1992). “Data for Discovery,” Begell House, New York.
great many sites that purport to provide physical and chem-
Lide, D. R. (1973). “Status report on critical compilation of physical
ical data, but the quality is highly variable. Data quality chemical data.” Ann. Rev. Phys. Chem. 24, 135–158.
is a consideration even when dealing with printed com- Lide, D. R. (1981). “Critical data for critical needs.” Science 212, 135–
pilations, but on the Internet the traditional filter of the 158.
publication process can no longer be relied upon. A search Maizell, R. E. (1998). “How To Find Chemical Information,” Wiley-
Interscience, New York.
for a specific property on a standard Internet search engine
Molino, B. B. (1985). In “The Role of Data in Scientific Progress” (P. S.
is likely to turn up hundreds of sites, most of which have Glaser, ed.), North-Holland, Amsterdam.
no documentation and provide no basis for confidence in Rumble, J. R., and Hampel, V. E. (1984). “Database Management in
the correctness of the data presented. It is important for all Science and Technology,” North-Holland, Amsterdam.

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