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Tautomer energy comparison

using model chemistry: BLYP/cc-pVTZ

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 13 -7 allene propyne 20
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 25 3 1,2-Butadiene 1-Butyne 22
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -4 -17 1,2-Butadiene 2-Butyne 13
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -76 -49 Cyclobutene 1,3-Butadiene -27
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -97 -82 1-Methylcyclopropene 1,2-Butadiene -15
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 47 42 Methylenecyclopropane 1-Methylcyclopropene 6
C3H6O sketch of Oxetane sketch of Propanal -125 -110 Oxetane Propanal -15
C4H8 sketch of cyclobutane sketch of 1-Butene -48 -33 cyclobutane 1-Butene -16
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 47 29 2-Propenoic acid β–Propiolactone 18
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -2 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -6
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -11 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -6
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -43 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- -14