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 298.15K enthalpies (kJ mol^-1)

Isomers of C₆H₁₂

index	Species	CAS number	Name	Relative experimental enthalpy (kJ mol-1)	sketch
a	C6H12	2398096	cis-1,3-dimethylcyclobutane
b	C6H12	2398109	(1r,3r)-1,3-dimethylcyclobutane
c	C6H12	7642093	(Z)-hex-3-ene
d	C6H12	7688213	(Z)-hex-2-ene
e	C6H12	13269528	(E)-hex-3-ene
f	C6H12	15679013	cis-1,2-dimethylcyclobutane
g	C6H12	15679024	(1R,2R)-1,2-dimethylcyclobutane
h	C4H6(CH3)2	18931710	1,1-dimethylcyclobutane
i	C6H12	110827	Cyclohexane	0.0
j	C6H12	96377	Cyclopentane, methyl-	16.4
k	C6H12	563791	2,3-dimethyl-but-2-ene	52.8
l	C6H12	563780	2,3-dimethylbut-1-ene	57.3
m	C6H12	616126	(E)-3-methylpent-2-ene	59.6
n	C6H12	922623	(Z)-3-methylpent-2-ene	61.3
o	C6H12	760214	3-methylenepentane	67.1
p	C6H12	4050457	(E)-2-Hexene	72.1
q	C6H12	592416	hex-1-ene	81.0
r	C6H12	4806615	Ethylcyclobutane	95.4