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 | 3 | -7 | allene | propyne | 10 | ||
C3H6O | -118 | -110 | Oxetane | Propanal | -8 | ||
C4H8 | -38 | -33 | cyclobutane | 1-Butene | -5 | ||
C3H4O2 | 41 | 29 | 2-Propenoic acid | β–Propiolactone | 12 |