2-130 PHYSICAL AND CHEMICAL DATA

TABLE 2-123 Solubility as a Function of Temperature and Henry’s Constant at 25°C for Gases in Water
Name Formula A B C D T range, K H at 25 °C, atm
Acetylene C2H2 −156.51 8,160.2 21.403 0 274–343 1,330
Carbon dioxide CO2 −159.854 8,741.68 21.6694 −1.10261E-03 273–353 1,635
Carbon monoxide CO −171.764 8,296.9 23.3376 0 273–353 58,000
Ethane C2H6 −250.812 12,695.6 34.7413 0 275–323 29,400
Ethylene C2H4 −153.027 7,965.2 20.5248 0 287–346 11,726
Helium He −105.9768 4,259.62 14.0094 0 273–348 142,900
Hydrogen H2 −125.939 5,528.45 16.8893 0 273–345 70,800
Methane CH4 −338.217 13,282.1 51.9144 −0.0425831 273–523 39,200
Nitrogen N2 −181.587 8,632.13 24.7981 0 273–350 84,600
Oxygen O2 −171.2542 8,391.24 23.24323 0 273–333 43,400
The constants can be used to calculate solubility by the equation ln x = A + B/T + C ln T + DT, where T is in K and x is the mole fraction of the solute dissolved in
water when the solute partial pressure is 1 atm. With the assumption that Henry’s law is valid up to 1 atm, H = 1/x. Values of the constants are from P. G. T. Fogg and
W. Gerrard, Solubility of Gases in Liquids, Wiley, 1991, New York, and Solubility Data Series, vol. 1, Helium and Neon, IUPAC, Pergamon Press, Oxford, 1979. For
higher-temperature behavior and an up-to-date reference list, see R. Fernandez-Prini, J. L. Alvarez, and A. H. Harvey, J. Phys. Chem. Ref. Data 32(2):903, 2003. To
find H at temperatures other than 25 °C, first find the solubility and then take the reciprocal.

TABLE 2-124 Henry’s Constant H for Various Compounds in Water at 25°C

Compound CAS no. Formula H, atm Rating Compound CAS no. Formula H, atm Rating
Paraffin Hydrocarbons Chlorine Containing
Methane 74828 CH4 36,600 4 Methyl chloride 74873 CH3Cl 556 ?
Ethane 74840 C2H6 26,700 3 Chloroethane 75003 C2H5Cl 681 10
Propane 74986 C3H8 37,800 3 Chlorobenzene 108907 C6H5Cl 204 10
Butane 106978 C4H10 51,100 3
Pentane 109660 C5H12 70,000 3 Alcohols
Octane 111659 C8H18 274,000 3 Methanol 67561 CH4O 0.272 4
Nonane 111842 C9H20 329,000 3 Ethanol 64175 C2H6O 0.272 4
Olefins 1-Propanol 71238 C3H8O 0.507 3
1-Butanol 71363 C4H10O 0.482 3
Ethylene 74851 C2H4 11,700 3
Propylene 115071 C3H6 11,700 4 Miscellaneous

Aromatics Acrylonitrile 107131 C3H3N 5.54 3

Dimethyl sulfide 75183 C2H6S 121 3
Benzene 71432 C6H6 299 10 Dimethyl disulfide 624920 C2H6S2 68.1 3
Toluene 108883 C7H8 354 10 Methyl mercaptan 74931 CH4S 177 3
o-Xylene 95476 C8H10 272 10 Ethyl mercaptan 75081 C2H6S 161 3
Cumene 98828 C9H12 724 9 Pyridine 110861 C5H5N 0.817 3
Phenol 108952 C6H6O 0.0394 7
Values in this table were taken from the Design Institute for Physical Proper-
Aldehydes ties (DIPPR) of the American Institute of Chemical Engineers (AIChE), copy-
right 2007 AIChE and reproduced with permission of AIChE, the DIPPR
Acetaldehyde 75,070 C2H4O 5.56 3 Environmental Safety Property Data and Estimations Streering Committee and
Propanal 123,386 C3H6O 4.36 4 of the DIPPR Evaluated Process Design Data Project Steering Committee.
Ketones Their source should be cited as T. N. Rogers, D. A. Zei, R. L. Rowley, W. V.
Wilding, J. L. Oscarson, Y. Yang, N. A. Zundel, T. E. Daubert, R. P. Danner,
Methyl ethyl ketone 78,933 C4H8O 2.59 5 DIPPR® Data Compilation of Pure Chemical Properties, Design Institute for
Esters Physical Properties, AIChE, New York (2007). Flammability limits are from B.
Lewis and G. Von Elbe, Combustion, Flames and Explosions of Gases, New
Methyl formate 107313 C2H4O2 13.6 3 York: Harcourt Brace Jovanovich (1987). Flash point data are from N. I. Sax,
Ethyl formate 109944 C3H6O2 13.6 3 Dangerous Properties of Industrial Materials, 6th ed, New York: Van Nostrand
Methyl acetate 79209 C3H6O2 5.04 3 Reinhold (1984). Autoignition data are from I. Glassman, Combustion, 3d ed,
Butyl acetate 123864 C6H12O2 13.6 3 New York: Academic Press (1996). The ratings reflect DIPPR® ESP’s effort to
provide a critical evaluation and quality assessment of each data point with 15
being the highest score possible. The rating is not directly correlated with the estimated experimental uncertainty. The ratings reflect DIPPR Project 911’s effort to
provide a critical evaluation and quality assessment of each data point, with 10 being the highest score possible. The rating is not directly correlated with the estimated
experimental uncertainty. Henry’s constant is a strong nonlinear function of temperature. A single value measured at one temperature, if used for calculation at a
different temperature, can lead to serious errors. Procedures for extrapolation of single-point values over the ambient temperature range (4°C < T < 50°C) are pre-
sented in Sec. 22, p. 22–49, under “Estimating Henry’s law constants.” Estimation procedures for the larger range (4°C < T < 200°C) are presented in F. L. Smith and
A. H. Harvey, “Avoid Common Pitfalls When Using Henry’s Law,” Chem. Eng. Prog., 103(9), 2007. See also Y.-L. Huang, J. D. Olson, and G. E. Keller II, “Steam
Stripping for Removal of Organic Pollutants from Water. 2. Vapor-Liquid Equilibrium Data,” Ind. Eng. Chem. Res., 31, pp. 1759–1768, 1992. (Also see the Supple-
mentary Material, which contains the databank of 404 compounds of environmental interest and other useful property data.).

The H in Tables 2-123 to 2-134 is the proportionality constant in
Henry’s law, p = Hx, where x is the mole fraction of the solute in the
aqueous liquid phase; p is the partial pressure in atm of the solute in
the gas phase; and H is a proportionality constant, generally referred
to as Henry’s constant. Values of H often have considerable uncer-
tainty and are strong functions of temperature. To convert values of H
at 25°C from atm to atm/(mol/m3), divide by the molar density of
water at 25°C, which is 55,342 mol/m3. Henry’s law is valid only for
dilute solutions.
Additional values of Henry’s constant can be found in “Environmental
Simulation Program”: OLI Systems, Inc., Morris Plains, N.J; “Estimated
Henry’s Law Constant,” EPA Online Tools for Site Assessment
Calculation (http://www.epa.gov/athens/learn2model/part-two/onsite/
esthenry.htm); “Compilation of Henry’s Law Constants for Inorganic
and Organic Species of Potential Importance in Environmental Chem-
istry,” Rolf Sander, Air Chemistry Department, Max-Planck Institute of
Chemistry, Mainz, Germany; “Modeling Atmospheric Chemistry: Inter-
actions between Gas-Phase Species and Liquid Cloud/Aerosol Particles,”
Rolf Sander, Surv. Geophys. 20:1–31, 1999 (http://www.henrys-law.org).
 SOLUBILITIES 2-131

TABLE 2-125 Henry’s Constant H for Various Compounds in TABLE 2-126 Air*
Water at 25 °C from Infinite Dilution Activity Coefficients t, °C 0 5 10 15 20 25 30 35
Compound CAS no. Formula H = ∞Pvp, atm 10−4 × H† 4.32 4.88 5.49 6.07 6.64 7.20 7.71 8.23
Pentane 109660 C5H12 63700
Hexane 1100543 C6H14 84600 t, °C 40 45 50 60 70 80 90 100
Heptane 142825 C7H16 120000 10−4 × H† 8.70 9.11 9.46 10.1 10.5 10.7 10.8 10.7
Benzene 71432 C6H6 309
Toluene 108883 C7H8 344 *International Critical Tables, vol. 3, p. 257.
o-Xylene 95476 C8H10 267 †H is calculated from the absorption coefficients of O2 and N2, taking into
Cumene 98,828 C9H12 613 consideration the correction for constant argon content.
Styrene 100425 C8H8 145
Formaldehyde 50000 CH2O 14.3
Acetaldehyde 75070 C2H4O 4.54
Propanal 123386 C3H6O 5.45
Acetone 67641 C3H6O 2.13
Methyl ethyl ketone 78933 C4H8O 3.11
Methyl n-propyl ketone 107879 C5H10O 4.60 TABLE 2-127 Ammonia-Water at 10 and 20 °C*
Formic acid 64186 CH2O2 0.0404
Methyl acetate 79209 C3H6O2 6.38 10 °C 20 °C
Ethyl acetate 141786 C4H8O2 8.01 Mass fraction Mass fraction Mass fraction
Butyl acetate 123864 C6H12O2 12.3 NH3 in liquid P, kPa NH3 in vapor P, kPa NH3 in vapor
Chloroethane 75003 C2H5Cl 626
1-Chloropropane 74986 C3H7Cl 792 0.0 1.23 0.0 2.34 0.0
Chlorobenzene 108907 C6H5Cl 219 0.00467 1.37 0.1
Methanol 67561 CH4O 0.263 0.00495 2.60 0.1
Ethanol 64175 C2H6O 0.293 0.1 7.07 0.84164 11.95 0.82096
Pyridine 110861 C5H5N 0.544 0.2 20.07 0.95438 32.34 0.94541
Diethyl ether 60297 C4H10O 48.7 0.3 47.37 0.98565 73.85 0.98199
Thiophene 110021 C4H4S 160 0.4 99.84 0.99544 150.56 0.99393
0.5 184.44 0.99848 269.50 0.99783
Henry’s constant H at 25 °C is the vapor pressure at 25 °C times the infinite 0.6 292.15 0.99943 416.63 0.99913
dilution activity coefficient, also at 25 °C. Infinite dilution activity coefficients 0.7 399.03 0.99975 560.61 0.99960
are from Mitchell and Jurs, J. Chem. Inf. Comput. Sci. 38: 200 (1998). Henry’s 0.8 486.44 0.99988 678.61 0.99980
constant is a strong nonlinear function of temperature. A single value measured 0.9 554.33 0.99995 771.87 0.99991
at one temperature, if used for calculation at a different temperature, can lead 1.0 615.05 1.0 857.48 1.0
to serious errors. Procedures for extrapolation of single-point values over the
ambient temperature range (4°C < T < 50°C) are presented in Sec. 22, p. 22–49, *Selected values from R. Tillner-Roth and D. G. Friend, J. Phys. Chem. Ref.
under “Estimating Henry’s law constants.” Estimation procedures for the larger Data 27:63 (1998). This reference lists solubilities for temperatures from −70 to
range (4°C < T < 200°C) are presented in F. L. Smith and A. H. Harvey, “Avoid 340°C. Densities, enthalpies, and entropies are listed for both the two-phase
Common Pitfalls When Using Henry’s Law,” Chem. Eng. Prog., 103(9), 2007. and single-phase regions for pressures up to 40 MPa.
See also Y.-L. Huang, J. D. Olson, and G. E. Keller II, “Steam Stripping for
Removal of Organic Pollutants from Water. 2. Vapor-Liquid Equilibrium Data,”
Ind. Eng. Chem. Res., 31, pp. 1759–1768, 1992. (Also see the Supplementary
Material, which contains the databank of 404 compounds of environmental
interest and other useful property data.)

TABLE 2-128 Carbon Dioxide (CO2)*

Liquid mol fraction CO2 × 103
Total pressure, atm 0 °C 10 °C 15 °C 20 °C 25 °C 35 °C 50 °C 75 °C 100 °C
1 1.445 0.985 0.802 0.692 0.608 0.473 0.342 0.248 0.187
2 2.89 1.946 1.587 1.374 1.207 0.943 0.683 0.495 0.373
10 12.71 8.81 7.32 6.44 5.74 4.54 3.30 2.41 1.841
20 21.23 15.38 13.13 11.84 10.75 8.64 6.34 4.65 3.62
30 25.79 19.80 17.49 16.22 15.05 12.80 9.10 6.78 5.35
36 21.45 19.42 18.30 17.29 14.80 10.63 7.90 6.35
*Values selected from G. Houghton, A. M. McLean, and P. D. Ritchie, Chem. Eng. Sci. 6:132–137, 1957.

TABLE 2-129 Carbonyl Sulfide (COS)*

t, °C 0 5 10 15 20 25 30
10−3 × H 0.92 1.17 1.48 1.82 2.19 2.59 3.04
*International Critical Tables, vol. 3, p. 261.
2-132 PHYSICAL AND CHEMICAL DATA

TABLE 2-130 Chlorine (Cl2) TABLE 2-131 Chlorine Dioxide (ClO2)

Partial Weight of ClO2, grams per liter of solution
Vol % of ClO2
pressure
Solubility, g of Cl2 per liter in gas phase 0 °C 5 °C 10 °C 15 °C 20 °C 30 °C 40 °C
of Cl2,
mmHg 0 °C 10 °C 20 °C 30 °C 40 °C 50 °C 1 2.00 1.50 1.25 1.00 0.90 0.60 0.46
3 6.00 4.7 3.85 3.20 2.70 1.95 1.30
5 0.488 0.451 0.438 0.424 0.412 0.398 5 10.0 7.8 6.30 5.25 4.30 3.20 2.25
10 0.679 0.603 0.575 0.553 0.532 0.512 7 14.0 10.9 8.95 7.35 6.15 4.40 3.20
30 1.221 1.024 0.937 0.873 0.821 0.781 10 20.0 15.5 12.8 10.5 8.80 6.30 4.50
50 1.717 1.354 1.210 1.106 1.025 0.962 11 17.0 14.0 11.7 9.70 7.00 5.00
100 2.79 2.08 1.773 1.573 1.424 1.313 12 18.6 15.3 12.8 10.55 7.50 5.45
150 3.81 2.73 2.27 1.966 1.754 1.599 13 20.3 16.6 13.8 11.5 8.20 5.85
200 4.78 3.35 2.74 2.34 2.05 1.856 14 18.0 14.9 12.3 8.80 6.35
250 5.71 3.95 3.19 2.69 2.34 2.09 15 19.2 16.0 13.2 9.50 6.80
300 4.54 3.63 3.03 2.61 2.31 16 20.3 17.0 14.2 10.1 7.20
350 5.13 4.06 3.35 2.86 2.53 Ishi, Chem. Eng. (Japan), 22:153 (1958).
400 5.71 4.48 3.69 3.11 2.74
450 6.26 4.88 3.98 3.36 2.94
500 6.85 5.29 4.30 3.61 3.14
550 7.39 5.71 4.60 3.84 3.33
600 7.97 6.12 4.91 4.08 3.52 TABLE 2-132 Hydrogen Chloride (HCl)
650 8.52 6.52 5.21 4.32 3.71 Weights of
700 9.09 6.90 5.50 4.54 3.89 HCl per 100 Partial pressure of HCl, mmHg
750 9.65 7.29 5.80 4.77 4.07 weights of H2O 0 °C 10 °C 20 °C 30 °C
800 10.21 7.69 6.08 4.99 4.27
900 8.46 6.68 5.44 4.62 78.6 510 840
66.7 130 233 399 627
1000 9.27 7.27 5.89 4.97 56.3 29.0 56.4 105.5 188
1200 Cl2.8H2O2 separates 10.84 8.42 6.81 5.67 47.0 5.7 11.8 23.5 44.5
1500 13.23 10.14 8.05 6.70 38.9 1.0 2.27 4.90 9.90
2000 17.07 13.02 10.22 8.38 31.6 0.175 0.43 1.00 2.17
2500 21.0 15.84 12.32 10.03 25.0 0.0316 0.084 0.205 0.48
19.05 0.0056 0.016 0.0428 0.106
3000 18.73 14.47 11.70 13.64 0.00099 0.00305 0.0088 0.0234
3500 21.7 16.62 13.38 8.70 0.000118 0.000583 0.00178 0.00515
4000 24.7 18.84 15.04 4.17 0.000018 0.000069 0.00024 0.00077
4500 27.7 20.7 16.75
2.04 0.0000117 0.000044 0.000151
5000 30.8 23.3 18.46

Partial Weights of
HCl per 100 Partial pressure of HCl, mm Hg
pressure
of Cl2, Solubility, g of Cl2 per liter weights of H2O 50 °C 80 °C 110 °C
mmHg 60 °C 70 °C 80 °C 90 °C 100 °C 110 °C 78.6
5 0.383 0.369 0.351 0.339 0.326 0.316 66.7
10 0.492 0.470 0.447 0.431 0.415 0.402 56.3 535
30 0.743 0.704 0.671 0.642 0.627 0.598 47.0 141 623
50 0.912 0.863 0.815 0.781 0.747 0.722 38.9 35.7 188 760
100 1.228 1.149 1.085 1.034 0.987 0.950 31.6 8.9 54.5 253
25.0 2.21 15.6 83
150 1.482 1.382 1.294 1.227 1.174 1.137 19.05 0.55 4.66 28
200 1.706 1.580 1.479 1.396 1.333 1.276 13.64 0.136 1.34 9.3
250 1.914 1.764 1.642 1.553 1.480 1.413 8.70 0.0344 0.39 3.10
300 2.10 1.932 1.793 1.700 1.610 1.542 4.17 0.0064 0.095 0.93
350 2.28 2.10 1.940 1.831 1.736 1.661 2.04 0.00140 0.0245 0.280
400 2.47 2.25 2.08 1.965 1.854 1.773 Enthalpy and phase-equilibrium data for the binary system HCl-H2O are
450 2.64 2.41 2.22 2.09 1.972 1.880 given by Van Nuys, Trans. Am. Inst. Chem. Engrs., 39, 663 (1943).
500 2.80 2.55 2.35 2.21 2.08 1.986
550 2.97 2.69 2.47 2.32 2.19 2.09
600 3.13 2.83 2.59 2.43 2.29 2.19
650 3.29 2.97 2.72 2.55 2.41 2.28
700 3.44 3.10 2.84 2.66 2.50 2.37
TABLE 2-133 Hydrogen Sulfide (H2S)
750 3.59 3.23 2.96 2.76 2.60 2.47
800 3.75 3.37 3.08 2.87 2.69 2.56 t, °C 0 5 10 15 20 25 30 35
900 4.04 3.63 3.30 3.08 2.89 2.74
10−2 × H 2.68 3.15 3.67 4.23 4.83 5.45 6.09 6.76
1000 4.36 3.88 3.53 3.28 3.07 2.91
1200 4.92 4.37 3.95 3.67 3.43 3.25 t, °C 40 45 50 60 70 80 90 100
1500 5.76 5.09 4.58 4.23 3.95 3.74 10−2 × H 7.45 8.14 8.84 10.3 11.9 13.5 14.4 14.8
2000 7.14 6.26 5.63 5.17 4.78 4.49
2500 8.48 7.40 6.61 6.05 5.59 5.25 International Critical Tables, vol. 3, p. 259.
3000 9.83 8.52 7.54 6.92 6.38 5.97
3500 11.22 9.65 8.53 7.79 7.16 6.72
4000 12.54 10.76 9.52 8.65 7.94 7.42
4500 13.88 11.91 10.46 9.49 8.72 8.13
5000 15.26 13.01 11.42 10.35 9.48 8.84