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Tautomer energy comparison

using model chemistry: B1B95/CEP-31G*

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 15 -7 allene propyne 21
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -52 -51 1,2-Butadiene 1,3-Butadiene -1
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne 5 -17 1,2-Butadiene 2-Butyne 22
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -13 -49 Cyclobutene 1,3-Butadiene 36
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -47 -82 1-Methylcyclopropene 1,2-Butadiene 36
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 44 42 Methylenecyclopropane 1-Methylcyclopropene 3
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone -13 29 2-Propenoic acid β–Propiolactone -41
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -6 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -10
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 68 64 1,3-Pentadiene, (E)- 1,2-Pentadiene 4
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -53 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- -1
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -11 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -6
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- 2 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 31