Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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You are here: Comparisons > Energy > Similar molecules > Sets of tautomers |
formula | sketch | Energy (kJ mol-1) | Name | difference | |||
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A | B | calculated | experiment | A | B | ||
C3H4 | -6 | -7 | allene | propyne | 0 | ||
C4H6 | -43 | -49 | Cyclobutene | 1,3-Butadiene | 6 | ||
C4H6 | 46 | 42 | Methylenecyclopropane | 1-Methylcyclopropene | 4 | ||
C3H6O | -111 | -110 | Oxetane | Propanal | -1 | ||
C4H8 | -19 | -33 | cyclobutane | 1-Butene | 14 | ||
C3H4O2 | 24 | 29 | 2-Propenoic acid | β–Propiolactone | -5 | ||
C4H6S | 2 | 4 | Thiophene, 2,5-dihydro- | Thiophene, 2,3-dihydro- | -2 | ||
C5H10 | -18 | -29 | Cyclopropane, 1,1-dimethyl- | 1-Butene, 2-methyl- | 11 | ||
C5H10 | -8 | -5 | 1-Butene, 2-methyl- | 2-Butene, 2-methyl- | -3 |