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:

• Chemical name
• Chemical formula
• Structure image (if available)

Click on the name to see more data.

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

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