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Tautomer energy comparison

using model chemistry: B1B95/STO-3G

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 -23 -7 allene propyne -16
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -36 -51 1,2-Butadiene 1,3-Butadiene 15
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne -6 3 1,2-Butadiene 1-Butyne -9
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -40 -17 1,2-Butadiene 2-Butyne -23
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene 34 -49 Cyclobutene 1,3-Butadiene 84
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -42 -82 1-Methylcyclopropene 1,2-Butadiene 40
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 48 42 Methylenecyclopropane 1-Methylcyclopropene 7
C3H6O sketch of Oxetane sketch of Propanal -6 -110 Oxetane Propanal 105
C4H8 sketch of cyclobutane sketch of 1-Butene 65 -33 cyclobutane 1-Butene 97
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone -110 29 2-Propenoic acid β–Propiolactone -139
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -17 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -22
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 40 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 15
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 57 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -7
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -34 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 18
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -14 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -9
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- 13 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 42