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Tautomer energy comparison

using model chemistry: B3LYP/CEP-31G

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 15 -7 allene propyne 22
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -60 -51 1,2-Butadiene 1,3-Butadiene -9
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 26 3 1,2-Butadiene 1-Butyne 23
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne 7 -17 1,2-Butadiene 2-Butyne 24
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -59 -49 Cyclobutene 1,3-Butadiene -10
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -99 -82 1-Methylcyclopropene 1,2-Butadiene -17
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 59 42 Methylenecyclopropane 1-Methylcyclopropene 17
C3H6O sketch of Oxetane sketch of Propanal -97 -110 Oxetane Propanal 14
C4H8 sketch of cyclobutane sketch of 1-Butene -21 -33 cyclobutane 1-Butene 11
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 39 29 2-Propenoic acid β–Propiolactone 10
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 6 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- 1
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 39 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 13
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 76 64 1,3-Pentadiene, (E)- 1,2-Pentadiene 12
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -59 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- -7
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- -40 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- -11