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Tautomer energy comparison

using model chemistry: LSDA/3-21G*

17 10 12 10 46
formula sketch Energy (kJ mol-1) Name difference
A B calculated experiment A B
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -9 -17 1,2-Butadiene 2-Butyne 8
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -96 -82 1-Methylcyclopropene 1,2-Butadiene -14
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 61 42 Methylenecyclopropane 1-Methylcyclopropene 20
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -8 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -12
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 37 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 12
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 49 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -16
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -21 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 8
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -13 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -8