return to home page Computational Chemistry Comparison and Benchmark DataBase Release 20 (August 2019) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Comparisons > Energy > Similar molecules > Sets of tautomers

Tautomer energy comparison

using model chemistry: MP3/6-31+G**

17 10 12 10 46
formula sketch Energy (kJ mol-1) Name difference
A B calculated experiment A B
C3H6O sketch of Oxetane sketch of Propanal -107 -110 Oxetane Propanal 3
C4H8 sketch of cyclobutane sketch of 1-Butene -41 -33 cyclobutane 1-Butene -9