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Tautomer energy comparison

using model chemistry: B3PW91/cc-pV(T+d)Z

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 9 -7 allene propyne 16
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -40 -51 1,2-Butadiene 1,3-Butadiene 11
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -10 -17 1,2-Butadiene 2-Butyne 7
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -46 -49 Cyclobutene 1,3-Butadiene 3
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -75 -82 1-Methylcyclopropene 1,2-Butadiene 7
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 48 42 Methylenecyclopropane 1-Methylcyclopropene 6
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 29 29 2-Propenoic acid β–Propiolactone 1
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 36 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 11
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 58 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -6
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -40 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 12
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -12 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -7
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -20 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 9