Heats of Sublimation of Solids (kcal/mol)

(All solids - Periodic Table - Home - PM7 Accuracy - Manual)

  Ref   PM7 DHf PM7  PM7  |PM7|    PM6 DHf PM6  PM6  |PM6| 
Chemical  DHs   Molecule Solid  DHs  Error  Error   Molecule Solid  DHs Error  Error
Iodine 14.9   13.5 -0.3 13.8 -1.1 1.1   13.3 -35.4 48.7 33.8 33.8
Water                  11.9   -57.8 -78.3 20.5 8.6 8.6   -54.3 -64.6 10.3 -1.6 1.6
Carbon dioxide 6.2   -84.5 -89.0 4.5 -1.7 1.7   -84.8 -86.7 1.9 -4.3 4.3
Iodoform 16.7   50.4 33.4 17.0 0.3 0.3   54.3 20.0 34.3 17.6 17.6
Methane 2.3   -14.4 -12.9 -1.5 -3.8 3.8   -12.3 -12.9 0.6 -1.7 1.7
Urea 21.7   -51.1 -79.6 28.5 6.8 6.8   -48.2 -65.7 17.5 -4.2 4.2
Oxalic acid 23.1   -166.3 -194.7 28.4 5.3 5.3   -156.3 -175.8 19.5 -3.6 3.6
Glycine 32.6   -93.2 -122.9 29.7 -2.9 2.9   -93.2 -122.9 29.7 -2.9 2.9
Alanine                31.8   -99.1 -132.0 32.9 1.1 1.1   -99.4 -132.0 32.6 0.8 0.8
Propane 6.8   -23.1 -30.4 7.3 0.5 0.5   -21.0 -23.2 2.2 -4.6 4.6
Maleic anhydride 16.7   -82.4 -98.8 16.4 -0.3 0.3   -84.4 -94.9 10.5 -6.2 6.2
Uracil 31.3   -74.2 -107.1 32.9 1.6 1.6   -75.6 -95.2 19.6 -11.7 11.7
2-Aminopyridine 18.3   28.2 2.8 25.4 7.1 7.1   30.6 21.4 9.2 -9.1 9.1
3-Aminopyridine 19.3   31.4 9.5 21.9 2.6 2.6   32.7 23.2 9.5 -9.8 9.8
4-Aminopyridine 20.8   27.9 3.1 24.8 4.0 4.0   29.4 19.0 10.4 -10.4 10.4
Thymine                32.0   -82.5 -116.5 34.0 2.0 2.0   -82.9 -100.8 17.9 -14.1 14.1
Methionine 39.2   -98.0 -137.6 39.6 0.4 0.4   -98.7 -126.9 28.2 -11.0 11.0
n-pentane 10.0   -33.3 -43.6 10.3 0.3 0.3   -31.0 -32.9 1.9 -8.1 8.1
Hexachlorobenzene 21.6   -16.8 -63.8 47.0 25.4 25.4   -10.0 -12.5 2.5 -19.1 19.1
Hexafluorobenzene 11.9   -236.2 -250.8 14.6 2.7 2.7   -237.1 -237.4 0.3 -11.6 11.6
2,4,6 Tribromoaniline 24.1   33.2 1.0 32.2 8.1 8.1   21.8 -30.7 52.5 28.4 28.4
Benzene 10.8   23.0 15.2 7.8 -3.0 3.0   24.2 21.0 3.2 -7.6 7.6
4-Nitroaniline 24.1   13.0 -17.6 30.6 6.5 6.5   12.1 -4.3 16.4 -7.7 7.7
2-Aminophenol 23.2   -25.5 -46.8 21.3 -1.9 1.9   -20.6 -38.2 17.6 -5.6 5.6
3-Aminophenol 24.4   -25.4 -51.7 26.3 1.9 1.9   -25.8 -36.5 10.7 -13.7 13.7
4-Aminophenol 24.8   -21.6 -54.5 32.9 8.1 8.1   -21.4 -40.7 19.3 -5.5 5.5
Cyclohexane 5.2   -27.4 -38.1 10.7 5.5 5.5   -27.5 -29.6 2.1 -3.1 3.1
4-Fluorobenzoic acid 21.8   -112.1 -136.6 24.5 2.7 2.7   -111.2 -123.2 12.0 -9.8 9.8
4-Chlorobenzoic acid 24.6   -73.2 -105.5 32.3 7.7 7.7   -72.3 -86.0 13.7 -10.9 10.9
Benzoic acid           21.9   -66.1 -88.9 22.8 0.9 0.9   -64.6 -74.6 10.0 -11.9 11.9
Tyrosine               52.3   -118.4 -172.2 53.8 1.5 1.5   -117.0 -150.9 33.9 -18.4 18.4
Naphthalene            17.3   39.7 20.1 19.6 2.3 2.3   40.1 35.9 4.2 -13.1 13.1
Ferrocene 17.5   50.3 34.3 16.0 -1.5 1.5   49.3 34.0 15.3 -2.2 2.2
Adamantane             14.1   -28.6 -42.2 13.6 -0.5 0.5   -33.2 -35.8 2.6 -11.5 11.5
Hexamethylbenzene 20.3   -24.6 -48.4 23.8 3.5 3.5   -23.9 -28.2 4.3 -16.0 16.0
Pyrene                 24.0   62.5 33.0 29.5 5.5 5.5   61.4 56.2 5.2 -18.8 18.8
            Averages: 3.88           10.29