Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Relative enthalpies of isomers - Comparison of 0K enthalpies (kJ mol^-1)

Isomers of C₆H₁₄

index	Species	CAS number	Name	Relative experimental enthalpy (kJ mol-1)	sketch
a	C6H14	75832	Butane, 2,2-dimethyl-	0.0
b	C6H14	79298	Butane, 2,3-dimethyl-
c	C6H14	96140	Pentane, 3-methyl-	11.0
d	C6H14	107835	Pentane, 2-methyl-	8.2
e	C6H14	110543	Hexane	13.4