COMMUNICATIONS
Extension of Passut-Danner Correlation of Ideal Gas Enthalpy, Heat Capacity, and Entropy In a recent publication, Passut and Danner (1972) dea set Of thermodynamically consistent for estimating ideal gas enthalpy, heat capacity, and entropy accurately. For work with isomeric and higher molecular weight hydrocarbons~the constants for 57 additional compounds have been derived using the identical
Literaturecited American Petroleum Institute Research Project 44, "Selected Values of Physical and Thermodynamic Properties of Hydrocarbons and Related Compounds," Thermodynamics Research Center, Texas A 8 M University, College Station, Texas (loose-leaf sheets extant 1973). Passut, C. A.. Danner. R. P.. lnd. Eng. Chem., Process Des. Develop.,
11,543(1972).
Table I. Coefficients and Error Analysis for Ideal Gas Enthalpy, Entropy, and Heat Capacity Equations
Compound 2,2-Dimethylbutane 2.4-Dimethylpentane 2.2-Dimethylhexane n-Propylcyclopentane n-Butylcyclopentane n-Pentylcyclopentane n-Hexylcyclopentane n-Heptylcyclopentane n-Octylcyclopentane n-Nonylcyclopentane n-Decvlcvclooentane . . . n-Undecylcyclopentane n-Dodecylcyclopentane n-Tridecylcylopentane E-Tetradecylcyclopentane
-
n-Pentadecylcyclopentane
n-Hexadecylcyclopentane :-Propylcyclohexane n-Butylcyclohexane n-Pentylcyclohexane n-Hexylcyclohexane n-Heptylcyclohexane p-Octylcyclohexane n-Nonylcyclohexane n-Decylcyclohexane n-Undecylcyclohexane n-Dodrcylcyclohexane p-Tridecylcyclohexane n-Tetradecylcyclohexane 2-Pentadecylcyclohexane n-Hexadecy',cyclohexane -Methyl-1-pentene 2,3-Dinetliyl-2-butene 1-Nonene l-DeCe"e
1-Undecene 1-Dodecene 1-Tridccene 1-Tetradecene 1-Pentadecene 1-tlexadecene 1-Heptadecene 1-Detadecene 1-Nonadecene 1-Eicocene n-Pentylbenzene n-Hexylbenzene n-Heptylbenzene n-Oc tylhenzene n-Nonylbenzene n-Decylbenrene n-Undecylbenzene n-Dodecylbenzene n-Tridecylbenzene -n-Tetradecylhenzena n-Pentadccylbcnzcne n-Hexadecylbenzene
A
coo3) -___
39.85675 4.g4788 18.60423 49.41436 46.25909 44.18028 42.27549 40.64207 39.06262 40.10984 37.22457 36.26227 35.38958 34.69233 33.53647 33.53666 32.95468 42.27427 35.24558 39.63768 33.89910 36.79062 33.37554 31.79276 35.29728 32.31112 30.72049 30.89652 29.68382 30.79096 28.62728 33.11010 13.60399 27.12578 25.93157 26.30854 24.91529 25.22322 25.68682 24.84103 25.53282 25.09450 26.20717 23.03197 23.17750 27.35814 28.116e.6 37.8911 7 28.42507 26.44112 27.30249 26.92644 26.38bY4 26.53230 25.71429 25.25285 24,47942
B
-u.119500 0.022285 -0.049683 -0.134564 -0.121404 -0.112812 -0.104489 -0.097811 -0.091469 -0.096330 -0.083503 -0.079464 -0.075912 -0.073073 -0.068355 -0.068283 -0.065718 -0.169580 -0.131428 -0.146275 -0.119505 -0.125537 -0.109555 -0.100495 -0.111031 -0.097161 -0.089017 -0.088382 -0.081800 -0.084445 -0.075070 -0.067102 0.037231 -0.015388 -0.0131gl -0.016673 -0.013083 -0.015400 -0.018202 -0.015938 -0.020065 -0.019211 -0.024179 -0.012252 -0.013599 -0.064932 -0.065845 -0.109008 -0.064015 -0.054702 -0.057202 -0.054954 -0.051554 -0.051434 -0.047354 -0,045210 -0.041614
D(106)
E(l0")
0.600536 -0,178050 0.292086 0.344768 0.046468 -0.584954 0.519866 -0.144325 0.340973 0.516937 -0.119298 0.139824 0.509469 -0.116933 0.136071 0.506074 -0.116394 0.135769 0.501262 -0.114752 0.132911 0.497818 -0.113748 0.131347 0.494187 -0.112622 0.129651 0.507377 -0.123675 0.169805 0. 490687 -0.111819 0.128586 0.488329 -0.111050 0.127350 0.486260 -0.110345 0.126116 0.484877 -0.110009 0.125746 0.480773 -0.108167 0.122168 0.482545 -0.109410 0.124919 0,480753 -0.108722 0.123716 0.586792 -0.150993 0.197802 0.535852 -0.117979 0.092567 0.567003 -0.143570 0.184764 0.537024 -0.129189 0.156369 0.547577 -0.135917 0.171760 0.530968 -0.128403 0.157541 0.520828 -0.123000 0.145215 0.536886 -0,132581 0.166554 0.521031 -0.124799 0.150892 0.512329 -0.120836 0.143450 0.513965 -0,122656 0.148451 0.506474 -0.118875 0.140592 0.510854 -0.121435 0.145909 0.500598 -0.116755 0.137218 0.505171 -0.063559 -0.329676 0.306168 0.010520 -0.311884 0 . 4 3 8 7 ~ -0.096227 0.106620 0.436928 -0.094809 0.103143 0.442210 -0.097267 0.107972 0.438409 -0.085010 0.102976 0.441359 -0.096019 0.104280 0.445204 -0,097739 0.107345 0.412550 -0.095981 0.103110 0.449140 -0.099874 0.112172 0.4L8331 -0.099308 0.110846 0.454805 -0.102427 0.116683 0.439266 -0.093840 0.098324 0.441513 -0.095020 0.101186 0.434331 -0.106360 0.125933 0.442190 -0.107182 0.130922 0.516055 -0.152850 0.239657 0.450636 -0.109823 0.135627 0.142356 -0.104371 0.123417 0.449578 -0.107742 0.130530 0.450084 -0.107521 0.130074 0.447988 -0,105632 0.125556 0.450373 -0.106370 0.126632 0.447081 -0.104004 0.121108 0.446770 -0,103692 0.120796 0.443843 -0.101672 0.116183
correlational method. All data were taken from API 44 (1973) data sheets. Table I lists the constants for Passut and Danner's eq 2, 3, and 5 together with the average and maximum per cent errors obtained when predicting the values of each of the properties and the temperature limitations of each of the polynomials.
F(1O1'1 -0.134489 1.039608 -0.598565 -0.046775 -0.045177 -0.045151 -0.043890 -0.043158 -0.042532 -0.096481 -0.042096 -0.041552 -0.040985 -0.040900 -0.039189 -0.040553 -0.040031 -0.074155 0.056028 -0.068101 -0.054347 -0.062666 -0.055847 -0.048907 -0.060030 -0.052196 -0.049068 -0.051852 -0.047751 -0.050420 -0.046311 1.114575 0.606460 -0.033352 -0.031620 -0.033986 -0.031494 -0.031896 -0.033107 -0.030885 -0.035722 -0.035076 -0.037606 -0.028576 -0.030173 -0.043951 -0.046067 -0.106076 -0.048153 -0.042000 -0.045419 -0,045273 -0.042880 -0.043330 -0.040345 -0.OL0383 -0.038033
G
Devi?t!ons, % Bear C~paclty
Enthalpy Max Av
1.173019 -0.30 0.428081 -0.07 -0.04 0.714214 1.232179 -0.07 0.07 1.131263 1.060-49 -0.04 0.996226 -0.03 0.943720 -0.06 0.04 0.895613 0.06 0.905577 0.06 0.830343 0.07 0.798664 0.772501 -0.07 0.750055 -0.06 0.719039 -0.10 0.712,Ol -0.08 0.693336 -0.12 1.293195 -0.28 1.082626 -0.86 1.141215 0.16 0.990548 -0.24 1.012528 -0.53 0.920248 -0.55 0.10 0.866314 0.914290 -0.27 0.836722 -0.30 0.789508 -0.36 0.780961 -0.28 0.742972 -0.25 0.753140 -0.19 0.700830 -0.23 0.988118 -0.08 0.467021 -0.11 0.615666 -0.19 0.574960 -0.24 0.5681.28 -0.18 0.529962 -0.23 0.525280 -0.25 0.525103 -0.22 0.501034 -0.23 0.51oz29 -0.19 0.496532 -0.25 0.513664 -0.13 0,444183 -0.25 0.444218 -0.26 0.757787 -0.23 0.746684 -0.16 2.38 0.949153 0.712847 -0.10 0.655188 -0.25 0.659508 -0.14 0.640253 -0.14 0.616517 -0.20 0.61O009 -0.18 0.583136 -0.20 0.567675 -0.21 0.544i61 -0.23
Hzh
0.10 0.02 0.02 0.02 0.02 0.02 0.01 0.01 0.01 0.01 0.01 0.01 0.02 0.01 0.02 0.01 0.02 0.07 0.12 0.04 0.05 0.09 0.09 0.04 0.06 0.06 0.06 0.05 0.05 0.04 0.04 0.02 0.03 0.03 0.04 0.03 0.04 0.04 0.04 0.03 0.04 0.04 0.03 0.04 0.04
0.04 0.03 0.24 0.02 0.04 0.02 0.02 0.03 0.03 0.03 0.03 0.04
-3.87 3.54 3.08 2.85 2.26 1.74 -1.54 -1.40 -1.27 -1.22 -1.10 -1.03 -0.98 -0.91 -0.84 -0.81 -0.78 -5.31 -4.02 -4.80 -3.69 -4.22 -3.38 -3.32 -4.10 -3.44 -2.91 -3.06 -2.99 -3.12 -2.62 -2.77 -1.63 -1.26 -1.15 -1.29 -1.04 -1.28 -1.46 -1.32 -1.47 -1.43 -1.75 -1.10 -1.15 -0.90 -1.30 4.68 -1.61 -1.25 -1.51 -1.49 -1.48 -1.54 -1.45 -1.33 -1.22
165 Fenske Laboratory
T ~ Pennsylvania Q State University UniversityPark7pa. Iao2
Av
0.89 1.95 2.04 0.49 0.42 0.38 0.35 0.33 0.30 0.31 0.28 0.27 0.26 0.25 0.24 0.25 0.26 0.79 0.63 0.71 0.51 0.64 0.48 0.46 0.60 0.49 0.43 0.44 0.43 0.15 0.37 0.87 0.33 0.21 0.19 0.22 0.19 0.21 0.24 0.24 0.25 0.24 0.27 0.22 0.22 0.17 0.21 1.08 0.25 0.20 0.24 0.25 0.26 0.25 0.24 0.23 0.21
Entropy Max Av
0.09 -0.17 -0.14 0.32 0.30 0.28 0.27 0.26 0.24 0.17 0.23 1.00 0.21 0.20 -0.28 0.19 0.18 -0.07 -0.09 -0.06 -0.07 0.10 0.07 -0.05 0.07 0.08 0.08 0.07 0.06 0.06 0.08 0.44 0.03 0.04 0.04 0.04 0.05 0.05 0.06 0.05 0.05 0.06 0.06 0.05 0.05 0.05 0.OL
-0.15 0.05 0.05 0.04 0.04
0.05 0.06 0.06 C.01
0.05
0.05 0.09 0.06 0.39 0.09 0.08 0.08 0.07 0.07 0.07 0.06 0.15 0.06 0.06 0.06 0.05 0.05 0.03 0.03 0.03 0.03 0.03 0.03 0.02 0.02 0.03 0.03 0.03 0.02 0.03 0.03 0.30 0.02 0.01 0.02 0.01 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.01 0.02 0.09 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.02
range, T-P
O F
P13W
011300 0+300
wlzoo
04.200 04200 cI2200 012200 w2200 0+2200 G-2200 012200 w2200 w2200 012200 G-2200
w2200 or2200 012200 012200 w2200 012200 012200 w2200
012200 w2200
w2200 w2200 012200 012200 'w2200 Or1300
011300 012200 012200 012200 w2200 'w2200 w2200 w2200 012200 012203
012200 0-2200 012200 'w5:oo 0+2200 012200 012200 012200 w2200 012200 022200
0+2200 0-32200 w2200 Q-72200
Peir K. Huang Thomas E. Daubert*
Received for review December 10, 1973 Accepted January 7 , 1974 Ind. Eng. Chem., Process Des. Develop., Vol. 13,No. 2,1974
193
