Time stamp: Thu Mar 11 09:07:12 2021

Heats of Sublimation of Solids (kcal/mol)

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

No.

Compound

Ref

PM7

PM6-D3H4

1 Methane 2.3  2.8  2.7  
2 Propane 6.8  7.6  6.1  
3 n-pentane 10.0  11.4  10.6  
4 Benzene 10.8  11.9  8.5  
5 Cyclohexane 5.2  11.2  9.4  
6 Naphthalene 17.3  19.9  13.8  
7 Adamantane 14.1  14.7  11.8  
8 Hexamethylbenzene 20.3  24.9  13.7  
9 Pyrene 24.0  29.5  19.8  
10 3-Aminopyridine 19.3  27.7  21.0  
11 4-Aminopyridine 20.8  28.1  23.6  
12 Water 11.9  20.9  15.0  
13 m-amino phenol 24.4  27.2  23.7  
14 o-amino phenol 23.2  27.7  34.9  
15 p-amino phenol 24.8  34.2  40.2  
16 Urea 21.7  40.9  31.7  
17 Carbon dioxide 6.2  4.2  5.1  
18 Benzoic acid 21.9  24.3  23.5  
19 Glycine 32.6  40.8  63.6  
20 Alanine 31.8  40.4  51.3  
21 Uracil 31.3  34.6  33.7  
22 Thymine 32.0  35.1  31.9  
23 Maleic anhydride 16.7  17.4  18.0  
24 Tyrosine 52.3  55.5  66.8  
25 Oxalic acid 23.1  36.5  33.2  
26 Hexafluorobenzene 11.9  15.6  6.4  
27 Methionine 39.2  40.6  60.0  
28 4-Chlorobenzoic acid 24.6  34.0  25.5  
29 Hexachlorobenzene 21.6  51.7  11.8  
30 Iodine dimer 14.9  12.3  53.5  
31 Iodoform 16.7  17.0  37.8  

Average Unsigned Error for PM7: 5.675,   PM6-D3H4: 8.016