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Tautomer energy comparison

using model chemistry: MP2/Def2TZVPP

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 -18 -7 allene propyne -11
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -50 -51 1,2-Butadiene 1,3-Butadiene 1
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne -9 3 1,2-Butadiene 1-Butyne -12
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -30 -17 1,2-Butadiene 2-Butyne -13
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -43 -49 Cyclobutene 1,3-Butadiene 6
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -66 -82 1-Methylcyclopropene 1,2-Butadiene 16
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 42 42 Methylenecyclopropane 1-Methylcyclopropene 0
C4H8 sketch of cyclobutane sketch of 1-Butene -21 -33 cyclobutane 1-Butene 12
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 34 29 2-Propenoic acid β–Propiolactone 6
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -4 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -9
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 29 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 4
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 62 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -2
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -51 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 0
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -8 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -2
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -15 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 14