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Tautomer energy comparison

using model chemistry: MP2/3-21G

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 -37 -7 allene propyne -30
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -44 -51 1,2-Butadiene 1,3-Butadiene 7
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne -29 3 1,2-Butadiene 1-Butyne -33
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -47 -17 1,2-Butadiene 2-Butyne -30
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -72 -49 Cyclobutene 1,3-Butadiene -22
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -117 -82 1-Methylcyclopropene 1,2-Butadiene -35
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 55 42 Methylenecyclopropane 1-Methylcyclopropene 13
C3H6O sketch of Oxetane sketch of Propanal -136 -110 Oxetane Propanal -25
C4H8 sketch of cyclobutane sketch of 1-Butene -38 -33 cyclobutane 1-Butene -5
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 39 29 2-Propenoic acid β–Propiolactone 11
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 7 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- 3
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 17 25 1,3-Pentadiene, (E)- 1,4-Pentadiene -8
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 48 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -16
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -5 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- 0
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -52 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- -23