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Tautomer energy comparison

using model chemistry: B97D3/3-21G

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 10 -7 allene propyne 17
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -42 -51 1,2-Butadiene 1,3-Butadiene 10
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 18 3 1,2-Butadiene 1-Butyne 15
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -67 -49 Cyclobutene 1,3-Butadiene -18
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -118 -82 1-Methylcyclopropene 1,2-Butadiene -36
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 59 42 Methylenecyclopropane 1-Methylcyclopropene 17
C3H6O sketch of Oxetane sketch of Propanal -117 -110 Oxetane Propanal -7
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 24 29 2-Propenoic acid β–Propiolactone -5
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 5 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- 0
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 33 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 8
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 54 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -10
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -41 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 11
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -7 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -2
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -52 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- -23