Joback Method - Group Contributions

Group Contributions

Group Tc Pc Vc Tb Tm Hform Gform a b c d Hfusion Hvap a b
Critical State Data Temperatures
of Phase Transitions		 Chemical Caloric
Properties		 Ideal Gas Heat Capacities Enthalpies
of Phase Transitions		 Dynamic Viscosity
Non-ring groups
-CH3 0.0141 −0.0012 65 23.58 −5.10 −76.45 −43.96 1.95E+1 −8.08E−3 1.53E−4 −9.67E−8 0.908 2.373 548.29 −1.719
-CH2- 0.0189 0.0000 56 22.88 11.27 −20.64 8.42 −9.09E−1 9.50E−2 −5.44E−5 1.19E−8 2.590 2.226 94.16 −0.199
>CH- 0.0164 0.0020 41 21.74 12.64 29.89 58.36 −2.30E+1 2.04E−1 −2.65E−4 1.20E−7 0.749 1.691 -322.15 1.187
>C< 0.0067 0.0043 27 18.25 46.43 82.23 116.02 −6.62E+1 4.27E−1 −6.41E−4 3.01E−7 −1.460 0.636 −573.56 2.307
=CH2< 0.0113 −0.0028 56 18.18 −4.32 −9.630 3.77 2.36E+1 −3.81E−2 1.72E−4 −1.03E−7 −0.473 1.724 495.01 −1.539
=CH- 0.0129 −0.0006 46 24.96 8.73 37.97 48.53 −8.00 1.05E−1 −9.63E−5 3.56E−8 2.691 2.205 82.28 −0.242
=C< 0.0117 0.0011 38 24.14 11.14 83.99 92.36 −2.81E+1 2.08E−1 −3.06E−4 1.46E−7 3.063 2.138 n. a. n. a.
=C= 0.0026 0.0028 36 26.15 17.78 142.14 136.70 2.74E+1 −5.57E−2 1.01E−4 −5.02E−8 4.720 2.661 n. a. n. a.
≡CH 0.0027 −0.0008 46 9.20 −11.18 79.30 77.71 2.45E+1 −2.71E−2 1.11E−4 −6.78E−8 2.322 1.155 n. a. n. a.
≡C- 0.0020 0.0016 37 27.38 64.32 115.51 109.82 7.87 2.01E−2 −8.33E−6 1.39E-9 4.151 3.302 n. a. n. a.
Ring groups
-CH2- 0.0100 0.0025 48 27.15 7.75 −26.80 −3.68 −6.03 8.54E−2 −8.00E−6 −1.80E−8 0.490 2.398 307.53 −0.798
>CH- 0.0122 0.0004 38 21.78 19.88 8.67 40.99 −2.05E+1 1.62E−1 −1.60E−4 6.24E−8 3.243 1.942 −394.29 1.251
>C< 0.0042 0.0061 27 21.32 60.15 79.72 87.88 −9.09E+1 5.57E−1 −9.00E−4 4.69E−7 −1.373 0.644 n. a. n. a.
=CH- 0.0082 0.0011 41 26.73 8.13 2.09 11.30 −2.14 5.74E−2 −1.64E−6 −1.59E−8 1.101 2.544 259.65 −0.702
=C< 0.0143 0.0008 32 31.01 37.02 46.43 54.05 −8.25 1.01E−1 −1.42E−4 6.78E−8 2.394 3.059 -245.74 0.912
Halogen groups
-F 0.0111 −0.0057 27 −0.03 −15.78 −251.92 −247.19 2.65E+1 −9.13E−2 1.91E−4 −1.03E−7 1.398 −0.670 n. a. n. a.
-Cl 0.0105 −0.0049 58 38.13 13.55 −71.55 −64.31 3.33E+1 −9.63E−2 1.87E−4 −9.96E−8 2.515 4.532 625.45 −1.814
-Br 0.0133 0.0057 71 66.86 43.43 −29.48 −38.06 2.86E+1 −6.49E−2 1.36E−4 −7.45E−8 3.603 6.582 738.91 −2.038
-I 0.0068 −0.0034 97 93.84 41.69 21.06 5.74 3.21E+1 −6.41E−2 1.26E−4 −6.87E−8 2.724 9.520 809.55 −2.224
Oxygen groups
-OH (alcohol) 0.0741 0.0112 28 92.88 44.45 −208.04 −189.20 2.57E+1 −6.91E−2 1.77E−4 −9.88E−8 2.406 16.826 2173.72 −5.057
-OH (phenol) 0.0240 0.0184 −25 76.34 82.83 −221.65 −197.37 −2.81 1.11E−1 −1.16E−4 4.94E−8 4.490 12.499 3018.17 −7.314
-O- (nonring) 0.0168 0.0015 18 22.42 22.23 −132.22 −105.00 2.55E+1 −6.32E−2 1.11E−4 −5.48E−8 1.188 2.410 122.09 −0.386
-O- (ring) 0.0098 0.0048 13 31.22 23.05 −138.16 −98.22 1.22E+1 −1.26E−2 6.03E−5 −3.86E−8 5.879 4.682 440.24 −0.953
>C=O (nonring) 0.0380 0.0031 62 76.75 61.20 −133.22 −120.50 6.45 6.70E−2 −3.57E−5 2.86E−9 4.189 8.972 340.35 −0.350
>C=O (ring) 0.0284 0.0028 55 94.97 75.97 −164.50 −126.27 3.04E+1 −8.29E−2 2.36E−4 −1.31E−7 0. 6.645 n. a. n. a.
O=CH- (aldehyde) 0.0379 0.0030 82 72.24 36.90 −162.03 −143.48 3.09E+1 −3.36E−2 1.60E−4 −9.88E−8 3.197 9.093 740.92 −1.713
-COOH (acid) 0.0791 0.0077 89 169.09 155.50 −426.72 −387.87 2.41E+1 4.27E−2 8.04E−5 −6.87E−8 11.051 19.537 1317.23 −2.578
-COO- (ester) 0.0481 0.0005 82 81.10 53.60 −337.92 −301.95 2.45E+1 4.02E−2 4.02E−5 −4.52E−8 6.959 9.633 483.88 −0.966
=O (other than above) 0.0143 0.0101 36 −10.50 2.08 −247.61 −250.83 6.82 1.96E−2 1.27E−5 −1.78E−8 3.624 5.909 675.24 −1.340
Nitrogen groups
-NH2 0.0243 0.0109 38 73.23 66.89 −22.02 14.07 2.69E+1 −4.12E−2 1.64E−4 −9.76E−8 3.515 10.788 n. a. n. a.
>NH (non-ring) 0.0295 0.0077 35 50.17 52.66 53.47 89.39 −1.21 7.62E−2 −4.86E−5 1.05E−8 5.099 6.436 n. a. n. a.
>NH (ring) 0.0130 0.0114 29 52.82 101.51 31.65 75.61 1.18E+1 −2.30E−2 1.07E−4 −6.28E−8 7.490 6.930 n. a. n. a.
>N-(nonring) 0.0169 0.0074 9 11.74 48.84 123.34 163.16 −3.11E+1 2.27E−1 −3.20E−4 1.46E−7 4.703 1.896 n. a. n. a.
-N= (nonring) 0.0255 -0.0099 n. a. 74.60 n. a. 23.61 n. a. n. a. n. a. n. a. n. a. n. a. 3.335 n. a. n. a.
-N= (ring) 0.0085 0.0076 34 57.55 68.40 55.52 79.93 8.83 −3.84E-3 4.35E−5 −2.60E−8 3.649 6.528 n. a. n. a.
=NH n. a. n. a. n. a. 83.08 68.91 93.70 119.66 5.69 −4.12E−3 1.28E−4 −8.88E−8 n. a. 12.169 n. a. n. a.
-CN 0.0496 −0.0101 91 125.66 59.89 88.43 89.22 3.65E+1 −7.33E−2 1.84E−4 −1.03E−7 2.414 12.851 n. a. n. a.
-NO2 0.0437 0.0064 91 152.54 127.24 −66.57 −16.83 2.59E+1 −3.74E−3 1.29E−4 −8.88E−8 9.679 16.738 n. a. n. a.
Sulfur groups
-SH 0.0031 0.0084 63 63.56 20.09 −17.33 −22.99 3.53E+1 −7.58E−2 1.85E−4 −1.03E−7 2.360 6.884 n. a. n. a.
-S- (nonring) 0.0119 0.0049 54 68.78 34.40 41.87 33.12 1.96E+1 −5.61E−3 4.02E−5 −2.76E−8 4.130 6.817 n. a. n. a.
-S- (ring) 0.0019 0.0051 38 52.10 79.93 39.10 27.76 1.67E+1 4.81E−3 2.77E−5 −2.11E−8 1.557 5.984 n. a. n. a.

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