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Tautomer energy comparison

using model chemistry: QCISD/6-311G*

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 -9 -7 allene propyne -2
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -46 -51 1,2-Butadiene 1,3-Butadiene 5
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 0 3 1,2-Butadiene 1-Butyne -3
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -22 -17 1,2-Butadiene 2-Butyne -5
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -48 -49 Cyclobutene 1,3-Butadiene 1
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -80 -82 1-Methylcyclopropene 1,2-Butadiene 2
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 46 42 Methylenecyclopropane 1-Methylcyclopropene 4
C3H6O sketch of Oxetane sketch of Propanal -122 -110 Oxetane Propanal -12
C4H8 sketch of cyclobutane sketch of 1-Butene -24 -33 cyclobutane 1-Butene 9