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Tautomer energy comparison

using model chemistry: wB97X-D/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 4 -7 allene propyne 10
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -41 -51 1,2-Butadiene 1,3-Butadiene 10
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 13 3 1,2-Butadiene 1-Butyne 10
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -11 -17 1,2-Butadiene 2-Butyne 6
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -41 -49 Cyclobutene 1,3-Butadiene 9
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -76 -82 1-Methylcyclopropene 1,2-Butadiene 6
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 48 42 Methylenecyclopropane 1-Methylcyclopropene 6
C3H6O sketch of Oxetane sketch of Propanal -112 -110 Oxetane Propanal -2
C4H8 sketch of cyclobutane sketch of 1-Butene -17 -33 cyclobutane 1-Butene 16
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 31 29 2-Propenoic acid β–Propiolactone 2
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 1 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -3
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 29 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 3
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 55 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -10
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -42 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 9
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -9 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -4
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -19 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 10