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 C₆H₆

index	Species	CAS number	Name	Relative experimental enthalpy (kJ mol-1)	sketch
a	C6H6	71432	Benzene	0.0
b	C6H6	497201	Fulvene
c	C6H6	650420	Prismane
d	C6H6	659858	Benzvalene
e	C6H6	821089	Hexa-1,5-diene-3-yne
f	C6H6	2809690	2,4-Hexadiyne
g	C6H6	3227905	Trimethylenecycopropane
h	C6H6	5291907	3,4-Dimethylenecyclobutene
i	C6H6	5649956	Dewar Benzene
j	C6H6	29776963	1,2,4,5-Hexatetraene