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Species with data from:

Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 .

34 matching species were found.

For each matching species the following will be displayed:

Click on the name to see more data.

  1. 5-Hepten-2-one, 6-methyl- (C8H14O)
    C8H14O
  2. 2-Pentanone, 4-hydroxy-4-methyl- (C6H12O2)
    C6H12O2
  3. Benzene, hexafluoro- (C6F6)
    C6F6
  4. Diethyl malonate (C7H12O4)
    C7H12O4
  5. Thietane (C3H6S)
    C3H6S
  6. Benzene, pentafluoro(trifluoromethyl)- (C7F8)
    C7F8
  7. 2-Cyclohexen-1-one, 2,6,6-trimethyl- (C9H14O)
    C9H14O
  8. Ethane, 1,1'-oxybis[2-methoxy- (C6H14O3)
    C6H14O3
  9. p-Hydroxybiphenyl (C12H10O)
    C12H10O
  10. Phenol, 2-(1,1-dimethylethyl)-4-methyl- (C11H16O)
    C11H16O
  11. Butane, decafluoro- (C4F10)
    C4F10
  12. 2-Propanone, 1,1,1,3,3,3-hexafluoro- (C3F6O)
    C3F6O
  13. Cyclohexane, dodecafluoro- (C6F12)
    C6F12
  14. Benzene, bromopentafluoro- (C6BrF5)
    C6BrF5
  15. 1,3,5-Triazine, 2,4,6-trimethoxy- (C6H9N3O3)
    C6H9N3O3
  16. Benzene, pentafluoroiodo- (C6F5I)
    C6F5I
  17. 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane (C38H62)
    C38H62
  18. Benzenamine, 3-chloro-4-methyl- (C7H8ClN)
    C7H8ClN
  19. 2,2'-Biquinoline (C18H12N2)
    C18H12N2
  20. Pentacyclo[18.2.2.2(9,12).0(4,15).0(6,17)]hexacosa-4,6(17),9,11,15,20,22,23,25-nonane (C26H26)
    C26H26
  21. Cyclohexane, undecyl- (C17H34)
    C17H34
  22. 1,2,3,6-Tetrahydropyridine (C5H9N)
    C5H9N
  23. Bis(n-perfluoropropyl ether) (C6F14O)
  24. Pyrazine, 1,4-dioxide (C4H4N2O2)
    C4H4N2O2
  25. 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro- (C4F6)
    C4F6
  26. Terephthalamide (C8H8N2O2)
    C8H8N2O2
  27. Dioxybismethanol (C2H6O4)
    C2H6O4
  28. Fluorodinitrophenylmethane (C7H5FN2O4)
    C7H5FN2O4
  29. 2,4,6-Trimethylphenyl isocyanide (C10H11N)
    C10H11N
  30. 6-(tert-butyl)-1,1-dimethylindan (C15H22)
    C15H22
  31. Isophthalamide (C8H8N2O2)
    C8H8N2O2
  32. Octafluoro-2-butene (C4F8)
    C4F8
  33. DL-3,4-Di(1-cyclohexen-1-yl)-2,2,5,5-tetramethylhexane (C22H38)
    C22H38
  34. benzene-1,3,5-tricarbonitrile (C9H3N3)
    C9H3N3