Chemical Engineering December 2011 - 44

(Table continued from previous page) log10 S = A + B/T + C log10T (S = solubility, parts per million by weight, ppm (wt.), T, K)
C Tmin Tmax Code S @ Tmin S @ 373K S @ Tmax
No. ID
Formula Name
46 22963 C11H16
47 22964 C11H16
48 22965 C11H16
49 23006 C11H16
50 23007 C11H16
2-phenyl-2-methylbutane
2-phenyl-3-methylbutane
1-phenyl-2,2-dimethylpropane
1,2,4-trimethyl-6-ethylbenzene
1,3,5-trimethyl-2-ethylbenzene
51
23008 C11H16 pentamethylbenzene
52 25025 C12H18 hexylbenzene
53 25026 C12H18
54 25027 C12H18
55 25032 C12H18
56 25033 C12H18
57 25034 C12H18
58 25043 C12H18
59 25044 C12H18
1,4-dipropylbenzene
diisopropylbenzene
1,2,3-triethylbenzene
1,2,4-triethylbenzene
1,3,5-triethylbenzene
1,2,4-trimethyl-5-isopropylbenzene
4-tert-butyl-o-xylene
60
25046 C12H18 hexamethylbenzene
61 25049.1 C12H18
62 26983 C13H20 heptylbenzene
63 26984 C13H20
64 28365 C14H22 octylbenzene
65 28366 C14H22
66 28367 C14H22
67 28368 C14H22
68 28369 C14H22
2,4,6-trimethyl-1-propylbenzene
1-methyl-2,4-diisopropylbenzene
1,2,3,4-tetraethylbenzene
1,2,3,5-tetraethylbenzene
1,2,4,5-tetraethylbenzene
69
29455 C15H24 nonylbenzene
70 29456 C15H24
71 29457 C15H24
72 29458 C15H24
CAS No. A
2049-95-8
4481-30-5
1007-26-7
---10.2286
-517.6676 5.8286 298 478 2 286.86 2,369.39 20,075.76
3982-67-0
700-12-9
-13.3771 -331.8442 6.8592 298 478 1,2 303.80 2,369.81 20,151.34
-10.2786 -517.6676 5.8286 298 478 2 255.64 2,111.48 17,890.56
1077-16-3 -10.2642 -517.6676 5.8286 298 478 2 264.25 2,182.61 18,493.23
4815-57-0 -10.2166 -517.6676 5.8286 298 478 2 294.85 2,435.35 20,634.70
25321-09-9 -10.1944 -517.6676 5.8286 298 478 2 310.32 2,563.14 21,717.41
42205-08-3 -10.2408 -517.6676 5.8286 298 478 2 278.87 2,303.40 19,516.63
-10.2422 -517.6676 5.8286 298 478 2 278.02 2,296.34 19,456.83
-10.2364 -517.6676 5.8286 298 478 2 281.70 2,326.74 19,714.42
877-44-1
102-25-0
10222-95-4
87-85-4
---15.4811
-209.1151 7.5399 298 478 1,2 298.24 2,240.24 19,094.66
1078-71-3 -10.3186 -517.6676 5.8286 298 478 2 233.15 1,925.77 16,316.99
1460-98-6
-10.2585 -517.6676 5.8286 298 478 2 267.76 2,211.65 18,739.24
2189-60-8 -10.3684 -517.6676 5.8286 298 478 2 207.90 1,717.23 14,550.03
642-32-0
-10.3319 -517.6676 5.8286 298 478 2 226.09 1,867.45 15,822.85
38842-05-6
635-81-4
-10.3261 -517.6676 5.8286 298 478 2 229.17 1,892.88 16,038.36
-10.3292 -517.6676 5.8286 298 478 2 227.51 1,879.18 15,922.26
1,4-di-tert-butylbenzene 1012-72-2 -10.2946 -517.6676 5.8286 298 478 2 246.39 2,035.14 17,243.70
1081-77-2 -10.4164 -517.6676 5.8286 298 478 2 186.15 1,537.52 13,027.35
948-32-3
1,2,4-triisopropylbenzene
1,3,5-triisopropylbenzene
73
30357 C16H26 decylbenzene
74 30358 C16H26 pentaethylbenzene
717-74-8
-10.3129 -517.6676 5.8286 298 478 2 236.24 1,951.26 16,533.01
-10.2966 -517.6676 5.8286 298 478 2 245.29 2,025.98 17,166.11
3,5-di-tert-butyltoluene 15181-11-0 -10.3129 -517.6676 5.8286 298 478 2 236.24 1,951.26 16,533.01
104-72-3
605-01-6
(2,4,6-trimethylheptane)
benzene
---10.4595
-517.6676 5.8286 298 478 2 168.57 1,392.31 11,796.99
-10.4027 -517.6676 5.8286 298 478 2 192.12 1,586.82 13,445.12
75 30361 C16H26 (1-methylnonyl)benzene 4537-13-7 -10.4366 -517.6676 5.8286 298 478 2 177.66 1,467.43 12,433.46
76 30361.1 C16H26
77 31034 C17H28 undecylbenzene
78 31730 C18H30 dodecylbenzene
79 31731 C18H30 hexaethylbenzene
80 31732 C18H30
code: 1 - data, 2 - estimate
then keyed-in to the computer to provide
a database for which experimental
data are available. The database
also served as a basis to check the accuracy
of the correlation.
The solubility of water as a function
of temperature is shown in Figure 1
for a representative compound (benzene).
The data of Chen and Wagner
[1], Pollak and Lu [9], and Tsonopoulos
and Wilson [18] were selected for
the graph. The graph discloses favorable
agreement between the data and
Equation (1).
Tabulation of results
The results for solubility of water in
benzenes as a function of temperature
44 CHEMICAL ENGINEERING WWW.CHE.COM DECEMBER 2011
are given in Table 1. The tabulation is
arranged by carbon number (C5, C6,
C7 and so on) to provide ease of use in
quickly locating data using the chemical
formula.
The tabulated values are based
on both experimental data and estimates.
In the absence of data, the
estimates for isomers and large size
-18.1325 -63.7026 8.3464 298 478 1,2 202.52 1,454.65 12,433.46
6742-54-7 -10.5012 -517.6676 5.8286 298 478 2 153.11 1,264.61 10,715.00
-10.5403 -517.6676 5.8286 298 478 2 139.94 1,155.84 9,793.38
-10.4598 -517.6676 5.8286 298 478 2 168.44 1,391.26 11,788.13
123-01-3
604-88-6
1,2,4,5-tetraisopropylbenzene
635-11-0
-10.3537
-517.6676 5.8286 298 478 2 215.06 1,776.30 15,050.54
-10.2503 -517.6676 5.8286 298 478 2 272.84 2,253.60 19,094.66
7397-06-0 -10.2068 -517.6676 5.8286 298 478 2 301.60 2,491.13 21,107.27
-10.3658 -517.6676 5.8286 298 478 2 209.15 1,727.48 14,636.86
B
-10.1725 -517.6676 5.8286 298 478 2 326.41 2,696.02 22,843.28
-10.1606 -517.6676 5.8286 298 478 2 335.48 2,771.00 23,478.59
-10.1551 -517.6676 5.8286 298 478 2 339.71 2,805.92 23,774.53
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Chemical Engineering December 2011

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