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Tautomer energy comparison

using model chemistry: HF/LANL2DZ

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 -56 -51 1,2-Butadiene 1,3-Butadiene -4
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 1 3 1,2-Butadiene 1-Butyne -3
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -27 -17 1,2-Butadiene 2-Butyne -10
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -83 -49 Cyclobutene 1,3-Butadiene -34
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -127 -82 1-Methylcyclopropene 1,2-Butadiene -45
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 73 42 Methylenecyclopropane 1-Methylcyclopropene 32
C3H6O sketch of Oxetane sketch of Propanal -114 -110 Oxetane Propanal -4
C4H8 sketch of cyclobutane sketch of 1-Butene -42 -33 cyclobutane 1-Butene -10
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 85 29 2-Propenoic acid β–Propiolactone 56
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 15 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- 11
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 29 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 3
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 71 64 1,3-Pentadiene, (E)- 1,2-Pentadiene 7
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -55 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- -3
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -6 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -1
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -55 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- -26