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Tautomer energy comparison

using model chemistry: MP2/cc-pVDZ

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 -12
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -40 -49 Cyclobutene 1,3-Butadiene 9
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -52 -51 1,2-Butadiene 1,3-Butadiene -1
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne -9 3 1,2-Butadiene 1-Butyne -12
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -30 -17 1,2-Butadiene 2-Butyne -14
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -64 -82 1-Methylcyclopropene 1,2-Butadiene 18
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 40 42 Methylenecyclopropane 1-Methylcyclopropene -2
C3H6O sketch of Oxetane sketch of Propanal -127 -110 Oxetane Propanal -17
C4H8 sketch of cyclobutane sketch of 1-Butene -18 -33 cyclobutane 1-Butene 15
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 36 29 2-Propenoic acid β–Propiolactone 8
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -4 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -8
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 30 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 5
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 65 64 1,3-Pentadiene, (E)- 1,2-Pentadiene 1
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -52 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- -0
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -7 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -2
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -17 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- 12