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Tautomer energy comparison

using model chemistry: MP2/aug-cc-pVTZ

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 -18 -7 allene propyne -11
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -38 -51 1,2-Butadiene 1,3-Butadiene 13
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne -9 3 1,2-Butadiene 1-Butyne -12
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -31 -49 Cyclobutene 1,3-Butadiene 18
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -67 -82 1-Methylcyclopropene 1,2-Butadiene 15
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 42 42 Methylenecyclopropane 1-Methylcyclopropene -0
C3H6O sketch of Oxetane sketch of Propanal -111 -110 Oxetane Propanal -1
C4H8 sketch of cyclobutane sketch of 1-Butene -22 -33 cyclobutane 1-Butene 11
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -51 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 0