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Tautomer energy comparison

using model chemistry: PBEPBE/STO-3G

17 10 12 10 46
formula sketch Energy (kJ mol-1) Name difference
A B calculated experiment A B
C3H4 sketch of allene sketch of propyne -9 -7 allene propyne -2
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -39 -51 1,2-Butadiene 1,3-Butadiene 12
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 7 3 1,2-Butadiene 1-Butyne 4
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -28 -17 1,2-Butadiene 2-Butyne -11
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene 23 -49 Cyclobutene 1,3-Butadiene 72
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -51 -82 1-Methylcyclopropene 1,2-Butadiene 31
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 48 42 Methylenecyclopropane 1-Methylcyclopropene 7
C3H6O sketch of Oxetane sketch of Propanal -17 -110 Oxetane Propanal 93
C4H8 sketch of cyclobutane sketch of 1-Butene 58 -33 cyclobutane 1-Butene 91
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone -110 29 2-Propenoic acid β–Propiolactone -138
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -22 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -27
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 38 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 13
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 55 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -10
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -29 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 22
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -15 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -9
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- 4 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 33