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Tautomer energy comparison

using model chemistry: MP2=FULL/6-311G*

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 -24 -7 allene propyne -17
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -47 -51 1,2-Butadiene 1,3-Butadiene 4
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne -13 3 1,2-Butadiene 1-Butyne -16
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -36 -17 1,2-Butadiene 2-Butyne -20
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -38 -49 Cyclobutene 1,3-Butadiene 11
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -64 -82 1-Methylcyclopropene 1,2-Butadiene 19
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 40 42 Methylenecyclopropane 1-Methylcyclopropene -2
C3H6O sketch of Oxetane sketch of Propanal -125 -110 Oxetane Propanal -14
C4H8 sketch of cyclobutane sketch of 1-Butene -16 -33 cyclobutane 1-Butene 17
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 22 29 2-Propenoic acid β–Propiolactone -7
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -3 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -8
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 28 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 3
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -46 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 6