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Tautomer energy comparison

using model chemistry: CID/6-31G*

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 -7 -7 allene propyne 0
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -42 -49 Cyclobutene 1,3-Butadiene 7
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 46 42 Methylenecyclopropane 1-Methylcyclopropene 4
C3H6O sketch of Oxetane sketch of Propanal -110 -110 Oxetane Propanal 0
C4H8 sketch of cyclobutane sketch of 1-Butene -18 -33 cyclobutane 1-Butene 15
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 24 29 2-Propenoic acid β–Propiolactone -5
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 2 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -2
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 21 25 1,3-Pentadiene, (E)- 1,4-Pentadiene -4
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 55 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -10
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -17 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 12
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -8 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -3