Chapter 11

DIFFUSION COEFFICIENT IN AIR -INORGANIC COMPOUNDS

Carl L. Yaws
Lamar University, Beaumont, Texas

Tabulation Results
The results are given in Table 11. For the tabulation, diffusion coefficient in air as a function of
temperature is given by the equation shown below:
2
Da1r =A + B T + C T (11)
Dair =diffusion coefficient in air, cm
2/sec
where
A, B, and C =regression coefficients for chemical compound
T = temperature, K
The tabulation is arranged by alphabetical order (Ag, AI, Ar, , Zr ) to provide ease of use in
quickly locating the data by using the chemical formula. The compound name and CAS No (Chemical
Abstracts Registry Number) are next provided. Values for regression coefficients are given in the adjacent
columns. The temperature range for use is given in the next columns (TMIN and TMAX). The equation
should not be used for temperatures outside this range. The next column provides the code for the
tabulation. The last three columns provide values for diffusion coefficient in air at representative
temperatures.
In preparing the tabulation, a literature search was conducted to identify data source pubticatlons
(1-29). Both experimental values for the property under consideration and parameter values for estimation
of the property are included in the source publications. The publications were screened and copies of
appropriate data were made. These data were then keyed into the computer to provide a database of
values for compounds for which experimental data are available. The database also served as a basis to
check the accuracy of the estimation methods. Upon completion of data collection, estimation of values
for the remaining compounds was performed.
The compilations of CRC (8); Marrero and Mason (21); Poling, Prausnitz, and O'Connell (25); and
Yaws (28) were used extensively for the tabulation. In the absence of experimental data for inorganic
compounds, estimates were primarily based on modified Wilke and Lee equation (25). Experimental data
and estimates were then regressed to provide the same equation for all compounds.
Data for polar and high molecular weight compounds are very limited. Also, few experimental data
are available at high temperatures. Thus, the values for these compounds and high temperatures should be
considered rough approximations. The values at lower temperatures in the region of ambient conditions are
more accurate.
A comparison of calculated and data values is shown in Figure 11 for a representative compound.
The graph shows favorable agreement of equation and data.
Example
In an engineering analysis, the diffusion coefficient in air is needed for water (H20) at 500 K.
Determine the diffusion coefficient in air for water at this temperature.
Substitution of the coefficients from the tabulation and temperature into the above equation yields:
Da1r =- 0.29890 + 1.6253E-03*500 + 7.5000E-07*500
2

Da1r =0.701 cm
2/sec

References
1. Altshuller, A. P. and I. R. Cohen, Anal. Chern., 3.2 (7), 802 (1960).
2. Bradley, R. S. and A. D. Shellard, Proc. Roy. Soc. (London), A1.9.8., 239 (1949).
3. Bradley, R. S. and G. C. S. Waghorn, Proc. Roy. Soc. (London), A20.6, 65 (1951).
4. Bradley, R. S. and others, Proc. Roy. Soc. (London), A1.B6, 368 (1946).
5. Bretsznajder, S., PREDICTION OF TRANSPORT AND OTHER PHYSICAL PROPERTIES OF EI lJIDS,
Pergamon Press, New York, NY (1971).
6. Brookfield, K. J. and others, Proc. Roy. Soc. (London), A1.9Q, 59 (1947).
7. Chen, P. H. and P. H. Wung, J. Chin. I. Ch. E., 21 (3),161 (1990).
8. CRC HANDBOOK OF CHEMISTRY AND PHYSICS, 75th· 87th eds., CRC Press, Inc., Boca Raton, FL

497
 (1994-2007) .
9. CRC HANDBOOK OF THERMOPHYSICAL AND THERMOCHEMICAL DATA, CRC Press, Boca Raton, FL
(1994).
10. Fuller, E N. and J. C. Giddings, J. Gas Chromatogr., 3, 222 (1965).
11. Fuller, E. N., P. D. Schettler, and J. C. Gidding, Ind. Eng. Chem.,.sa (5),19 (1966).
12. Goryunova, N. A. and E V. Kuvshinskii, Zh. Tekh. Fiz., 18,1421 (1948).
13. Grob, A. K. and M. M. EI-Wakil, J. Heat Transfer, ate, 259 (May, 1965).
14. Jost, W., DIFFUSION IN SOLIDS L1QUlPS ANP GASES, Academic Press, New York, NY (1952).
15. Kestin, J. et aI., J. Phy. Chern. Ref. Data, 13., 229 (1984).
16. Kilbanova, T. M. and others, Zh. Tekh. Fiz. (USSR), 12, 14 (1942).
17. Klotz, I. M. and D. K. Miller, J. Am. Chern. Soc., 69, 2557 (1947).
18. Landolt-Bornstein, ZAHLENWERTE UNP FUNKIONEN ANS pHySIK CHEMEI ASTRONOMIE UNP
TECHNIK, Springer-Verlag, Heidelberg, Germany (1972-2005).
19. Lugg, G. A., Anal. Chern., 40,1072 (1968).
20. Lyman, W. J., W. F. Reehl, and D. H. Rosenblatt, HANPBOOK OF CHEMICAL PROPERTY ESTIMATION
METHOPS, American Chemical Society, Washington, DC (1990).
21. Marrero, T. R. and E. A. Mason, J. Phy. Chern. Ref. Data, 1, 3 (1972).
22. Othmer, D. F. and N. H. Chen, Ind. Eng. Chern. Process Design Develop., 1 (4),249 (1962).
23. Othmer, D. F. and N. H. Chen, J. Chern. Eng. Data, Z (1),37 (1962).
24. PERRY'S CHEMICAL ENGINEERING HANPBOOK, 6th and 7th eds., McGraw-Hili, New York, NY (1984,
1997).
25. Poling, B. E, J. M. Prausnitz, and J. P. O'Connell, THE PROPERTIES OF GASES ANp L1QUIPS, 5th ed.,
McGraw-Hili, New York, NY (2000).
26. Poling, B. E, J. M. Prausnitz, and R. C. Reid, THE PROPERTIES OF GASES ANP I IQUlPS, 4th ed.,
McGraw-Hili, New York, NY (1987).
27. Wilke, C. R. and C. Y. Lee, Ind. Eng. Chern., 41,1253 (1955).
28. Yaws, C. L., YAWS HANPBOOK OF THERMOPYNAMIC ANp PHYSICAL PROPERTIES OF CHEMICAL
COMPOUNPS, electronic edition, www.knovel.com. knovel, Norwich, NY (2003-present).
29. Yuan, H. C. and M. H. Cheng, J. Chin. Chern. Soc. (Taipei),.14 (1),1 (1967) .

I -- equation • data I
4.5

4.0
0
Ql
en 3.5 /
~
E
0
... 3.0 /
< /
.S: 2.5 /
E
Ql
:2
;: 2.0
,/
Ql
0
0
c: 1.5 /
.Q
en
::l
;:
i:5
1.0 /
0.5 /
0.0
~
o 200 400 600 800 1000 1200 1400 1600
Temperature, K

Figure 11 Diffusion Coefficient in Air for Water

498
 Table 11 Diffusion Coefficient In Air· Inorganic Compounds
2/sec,
D.I r = A + B T + c r (Dolf - cm T - K)
NO 10 FORMULA NAME CAS No A B C TMIN TMAX code O... OTMIN 0... 025C O.. OTMAX
1 200 Ar argon 7440-37-1 -0.12000 7.1948E-04 9.4768E-07 200 1500 1.2 0.0618 0.1788 3.0915
2 228 AsCI3 arsenictrichloride 7784-34-1 -0.04255 3.1022E-04 4.7oo2E·07 200 1500 2 0.0383 0.0917 1.4803
3 230 AsF3 arsenic trifluoride 7784·35-2 -0.05537 4.1293E-04 6.0748E-07 200 1500 2 0.0515 0.1217 1.9309
4 231 AsF5 arsenic pentafluoride 7784·36-3 -0.04885 3.8176E·04 5.3506E-07 200 1500 2 0.0489 0.1125 1.7277
5 234 AsH3 arsine 7784-42·1 -0.06160 4.8390E-04 6.7514E-07 200 1500 2 0.0622 0.1427 2.1833
6 285 BBr3 boron tribromide 10294·33-4 -0.04052 2.9885E-04 4.4571E-07 200 1500 2 0.0371 0.0882 1.4106
7 361 BCl3 boron trichloride 10294·34-5 -0.04643 3.5215E·04 5.0821E-07 200 1500 2 0.0443 0.1037 1.6253
8 363 BF3 boron trifluoride 7637·07-2 -0.06563 5.2717E·04 7.2246E·07 200 1500 2 0.0687 0.1558 2.3507
9 394 B2H6 diborane 19287·45-7 -0.06699 5.3563E-04 7.3667E-07 200 1500 2 0.0696 0.1582 2.3939
10 401 B3N3H6 borazlne 6569-51·3 -0.04680 3.4956E-04 5.1323E·07 200 1500 2 0.0436 0.1030 1.6323
11 404 B4Hl0 tetraborane 18283-93-7 -0.04800 3.6328E-04 5.2552E-07 200 1500 2 0.0457 0.1070 1.6793
12 405 B5H9 pentaborane 19624-22-7 -0.04646 3.4622E·04 5.0981E-07 200 1500 2 0.0432 0.1021 1.6200
13 406 B5Hll pentaborane 18433-84-6 -0.04815 3.5844E-04 5.2846E-07 200 1500 2 0.0447 0.1057 1.6786
14 534 BeBr2 berylliumbromide 7787-46-4 -0.04757 3.2331E·04 5.7084E-07 200 1500 2 0.0399 0.0996 1.7218
15 541 BeCI2 berylliumchloride 7767-47-5 ·0.05114 3.4919E-04 6.0744E-07 200 1500 2 0.0430 0.1070 1.8394
16 564 BiBr3 bismuthtribromide 7787·58-8 -0.03525 2.4157E-04 4.155OE-07 200 1500 2 0.0297 0.0737 1.2620
17 576 BiCI3 bismuthtrichloride 7787-60-2 -0.03806 2.6104E·04 4.4793E-07 200 1500 2 0.0321 0.0796 1.3613
18 626 BrF3 brominetrifluoride 7787-71-5 -0.05392 3.9359E-04 5.9532E-07 200 1500 2 0.0486 0.1164 1.8759
19 628 BrF5 brominepentafluoride 7789-30-2 -0.04795 3.5977E-04 5.2545E-07 200 1500 2 0.0450 0.1080 1.6740
20 633 Br2 bromine 7726-95-6 -0.05396 4.0224E-04 5.9198E-07 200 1500 2 0.0502 0.1186 1.8614
21 641 CCI20 carbonylchloride 75-44-5 '0.05130 3.6985E-04 5.6141E-07 200 1500 2 0.0491 0.1148 1.7967
22 642 CF20 carbonyl fluoride 353-50-4 -0.05773 4.5889E-04 6.34ooE-07 200 1500 2 0.0594 0.1354 2.0571
23 644 CH4N20 urea 57-13-6 ·0.06094 4.3738E-04 6.7917E-07 200 1500 2 0.0537 0.1298 2.1233
24 647 CNCI cyanogenchloride 506-77-4 -0.06134 4.6515E-04 6.7139E-07 200 1500 2 0.0585 0.1370 2.1470
25 648 CNF cyanogenfluoride 1495·50·7 ·0.07641 5.9508E-04 8.3666E-07 200 1500 2 0.0761 0.1754 2.6987
26 651 CN408 tetranltromathane 509-14-8 -0.03621 2.6433E-04 3.9979E-07 200 1500 2 0.0326 0.0781 1.2598
27 652 CO carbon monoxide 630.08-0 ·0.11929 8.5335E-04 8.9756E·07 200 1500 1.2 0.0873 0.2149 3.1802
28 653 COS carbonyl sulfide 463·58·1 ·0.10668 5.9124E-04 6.3415E-07 200 1500 2 0.0369 0.1260 2.2070
29 655 CO2 carbon dioxide 124·38·9 -0.15731 8.8574E-04 5.6831E·07 200 1500 1,2 0.0426 0.1573 2.4500
30 656 CS2 carbon disulfide 75·15-0 ·0.09582 5.0655E-04 5.5670E·07 200 1500 1,2 0.0278 0.1049 1.9211
31 661 C2N2 cyanogen 460.19-5 ·0.06209 4.7780E-04 6.7942E-07 200 1500 2 0.0606 0.1408 2.1833
32 891 CIF chlorine monofluoride 7790-89-8 -0.07411 5.9585E-04 8.1607E-07 200 1500 2 0.0777 0.1761 2.6556
33 892 CIF03 perchlorylfluoride 7616-94·6 -0.05472 4.2628E·04 5.9915E-07 200 1500 2 0.0545 0.1256 1.9328
34 893 ClF3 chlorine trifluoride 7790-91-2 -0.05643 4.4331E-04 6.3956E·07 200 1500 2 0.0558 0.1306 2.0455
35 894 CIF5 chlorine pentafluoride 13637·63-3 ·0.05052 3.8737E-04 5.5279E-07 200 1500 2 0.0491 0.1141 1.7743
36 898 CI02 chlorine dioxide 10049-04·4 -0.06515 4.9449E-04 7.1313E-07 200 1500 2 0.0623 0.1457 2.2811
37 899 CI2 chlorine 7782-50-5 -0.06338 4.9071E·04 6.9372E-07 200 1500 2 0.0625 0.1446 2.2336
38 900 CI20 chlorine monoxide 7791-21-1 -0.05764 4.3903E-04 6.3075E·07 200 1500 2 0.0554 0.1293 2.0201
39 905 CI207 chlorine heptoxide 10294-48-1 -0.04087 3.0233E-04 4.4923E·07 200 1500 2 0.0376 0.0892 1.4234
40 1099 Cr02CI2 chromiumoxychloride 14977-61·8 -0.04386 3.21ooE-04 4.8381E-07 200 1500 2 0.0397 0.0949 1.5262
41 1302 02 deuterium 7782-39·0 '0.17364 1.6805E-03 2.2173E-06 200 1500 2 0.2511 0.5245 7.3360
42 1303 020 deuteriumoxide 7789-20.0 -0.10659 7.8373E-04 1.1738E-06 200 1500 2 0.0971 0.2314 3.7101
43 1404 FH03S f1uorosulfonic acid 7789-21-1 -0.05031 3.6367E-04 5.5826E-07 200 1500 2 0.0448 0.1077 1.7513
44 1406 FNO nitrosyl fluoride 7789-25-5 -0.07270 5.7031E-04 7.9667E·07 200 1500 2 0.0732 0.1682 2.5753
45 1409 F2 fluorine 7782-41-4 -0.08741 7.5870E·04 9.9853E-07 200 1500 2 0.1043 0.2276 3.2973
46 1412 F20 fluorine oxide 7783-41-7 -0.07303 8.0661E-04 8.1333E-07 200 1500 2 0.0808 0.1601 2.6669
47 1434 FeC505 iron pentacarbonyl 13463·40·6 -0.03539 2.6007E-04 3.8976E-07 200 1500 2 0.0322 0.0766 1.2317
48 1585 GaCI3 galliumtrichloride 13450-90-3 -0.04103 2.9382E-04 4.5769E-07 200 1500 2 0.0361 0.0873 1.4300
49 1661 GeCl4 germaniumchloride 10038-98-9 -0.03787 2.7975E-04 4.1646E-07 200 1500 2 0.0347 0.0826 1.3188
50 1668 GeHCI3 germane,trichloro 1184'65-2 -0.04198 3.1122E-04 4.6116E-07 200 1500 2 0.0387 0.0918 1.4625
51 1669 GeH2Br2 germane.dibromo 13769·36·3 -0.04295 3.1703E-04 4.7243E-07 200 1500 2 0.0393 0.0936 1.4956
52 1670 GeH2CI2 germane,dichloro 15230-48·5 ·0.04628 3.4377E-04 5.0819E-07 200 1500 2 0.0428 0.1014 1.6128
53 1671 GeH3Br germane,bromo 13569-43-2 -0.04928 3.6825E-04 5.4044E-07 200 1500 2 0.0460 0.1086 1.7191
54 1672 GeH3C1 laermane,chloro 13637-65·5 -0.05246 3.9548E-04 5.7456E-07 200 1500 2 0.0496 0.1165 1.8335
55 1675 GeH4 germane 7782-65-2 -0.05876 4.6855E·04 6.4576E·07 200 1500 2 0.0608 0.1383 2.0970
56 1686 Ge2H6 diaermane 13818-89-8 -0.04474 3.3692E-04 4.9006E·07 200 1500 2 0.0422 0.0993 1.5633
57 1687 Ge3H6 trigermane 14691·44-2 -0.03922 2.8759E-04 4.3232E-07 200 1500 2 0.0356 0.0850 1.3649
58 1691 HBr hydrogenbromide 10035-10-6 -0.06695 5.2720E·04 7'3409E-07 200 1500 2 0.0679 0.1555 2.3755
59 1694 HCN hydrogencyenlde 74-90-8 -0.07866 5.9348E-04 8.6147E-07 200 1500 2 0.0745 0.1749 2.7499
60 1695 HCI hydrogenchloride 7647-01-0 -0.08218 6.5400E-04 9.0273E-07 200 1500 2 0.0847 0.1931 2.9300
61 1696 HCI03S chlorosultonlcacid 7790-94·5 -0.04780 3.4634E-04 5.2976E-07 200 1500 2 0.0427 0.1025 1.6637
62 1697 HCI04 perchloricacid 7601·90-3 -0.05216 3.8228E-04 5.7498E-07 200 1500 2 0.0473 0.1129 1.8150
63 1698 HF hydrogenfluoride 7664-39-3 -0.10548 7.9780E-04 1.1548E-06 200 1500 2 0.1003 0.2350 3.6896
64 1699 HI hYdrogen Iodide 10034-85-2 ·0.05923 4.5891E-04 6.4829E-07 200 1500 2 0.0585 0.1352 2.0878
65 1702 HN03 nitric acid 7697-37-2 -0.08602 4.8820E-04 7.2573E-07 200 1500 2 0.0606 0.1441 2.2992
66 1709 H2 hydrogen 1333-74-0 -0.74707 3.7362E·03 3.2442E-06 200 1500 1,2 0.1299 0.6553 12.1566
67 1712 H2O water 7732-18-5 -0.29890 1.8253E-03 7.5OOOE-07 200 1500 1,2 0.0562 0.2523 3.8265
68 1713 H202 hydrogenperoxide 7722-84-1 -0.08263 6.0066E-04 9.1747E-07 200 1500 2 0.0740 0.1776 2.8825
69 1714 H2S hydrogensulfide 7783-06-4 -0.07863 6.1701E-04 8.6172E-07 200 1500 2 0.0792 0.1819 2.7858
70 1716 H2SO4 sulfuric acid 7664'93-9 -0.05207 3.6304E-04 5.9671E-07 200 1500 2 0.0444 0.1092 1.8351
71 1718 H2S2 hydrogendisulfide 13465-07-1 -0.05932 4.4039E-04 6.5134E-07 200 1500 2 0.0548 0.1299 2.0668
72 1719 H2Se hydrogenselenide 7783·07-5 -0.06468 5.0274E-04 7.0814E-07 200 1500 2 0.0642 0.1482 2.2827
73 1721 H2Te hydrogentelluride 7783-09-7 -0.05615 4.2844E-04 6.1441E-07 200 1500 2 0.0541 0.1262 1.9689
74 1722 H3NO hydroxylamine 7803-49-8 -0.08120 5.9549E-04 8.9493E-07 200 1500 2 0.0737 0.1759 2.8256
75 1738 He helium-3 14762-55-1 -0.16301 1.6882E·03 2.2725E-06 200 1500 2 0.2655 0.5423 7.4623
76 1739 He helium-4 7440.59·7 -0.68389 3.4924E-03 2.7939E-06 200 1500 1,2 0.1263 0.6057 10.8409
77 1771 Hg mercury 7439-97·6 -0.07434 5.1667E-04 8.5583E-07 200 1500 2 0.0832 0.1558 2.6263
78 1773 HgBr2 mercuricbromide 7789-47-1 -0.04287 2.9968E-04 4.6969E-07 200 1500 2 0.0367 0.0900 1.5084
79 1800 HgCI2 mercuricchloride 7487-94·7 -0.04632 3.2485E-04 5.2712E·07 200 1500 2 0.0397 0.0974 1.6270
80 1613 Hal2 mercuriciodide 7774-29-0 -0.03677 2.6954E-04 4.4601E·07 200 1500 2 0.0330 0.0812 1.3691

499
 Table 11 Diffusion Coefficient In Air - Inorganic Compounds

Oa.r=A+BT+cr (0 ... - cmz/sec,T - K)

NO 10 FORMULA NAME CAS No A B C TMIN TMAX code O.. OTMIN 0.. 025C O.. OTMAX
161 4291 Si20CI3F3 dlsiloxane, trichlorotrifluoro -- -0.03401 2.5497E-04 3.7274E-07 200 1500 2 0.0319 0.0751 1.1871
162 4295 Si3C18 octachlorotrisilane --- -0.02573 1.8385E-04 2.8769E-07 200 1500 2 0.0225 0.0547 0.8973
163 4296 Si3H8 trisilane 7783·26-8 -0.03975 2.9696E-04 4.3597E-07 200 1500 2 0.0371 0.0875 1.3866
164 4297 SI3H9N trisilszane ._. -0.03962 2.9640E-04 4.3439E-07 200 1500 2 0.0370 0.0874 1.3824
165 4300 SI4Hl0 tetresllane 7783-29-1 -0.03406 2.4999E-04 3.7533E-07 200 1500 2 0.0309 0.0738 1.1854
166 4422 SnCI2 stannous chloride 7772·99-8 -0.04231 2.8438E-04 5.2271E-07 200 1500 2 0.0355 0.0889 1.5604
167 4424 SnCI4 stannic chloride 7646-78-8 -0.03667 2.6862E-04 4.0440E-07 200 1500 2 0.0332 0.0794 1.2761
168 4678 TiCI4 titanium tetrachloride 7550-45-0 -0.03777 2.7496E-04 4.1758E-07 200 1500 2 0.0339 0.0813 1.3142
169 4860 VCI4 vanadium tetrachloride 7632-51-1 ·0.03845 2.7869E-04 4.2595E-07 200 1500 2 0.0343 0.0825 1.3380
170 4860 VOCl3 vanadium Oxytrichloride 7727-18-6 -0.03888 2.8373E-04 4.2934E·07 200 1500 2 0.0350 0.0839 1.3527
171 4917 WF6 tungsten Iluoride 7783-82-6 -0.04370 3.3085E-04 4.7841E-07 200 1500 2 0.0416 0.0975 1.5290
172 4945 Xe xenon 7440-63·3 -0.06037 4.8768E-04 6.6563E-07 200 1500 2 0.0638 0.1442 2.1688
code: 1 - data, 2· estimate
o • diffusion coefficient In air, cm'/sec
A, B, and C - regression coefficients lor chemical compound
T - temperature, K
TMIN - rrinimum temperature, K
TMAX - maximum temoerature, K

501