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 C₈H₆

index	Species	CAS number	Name	Relative experimental enthalpy (kJ mol-1)	sketch
a	C8H6	250259	Pentalene
b	C8H6	4026237	benzocyclobutadiene
c	C8H6	6249236	Calicene
d	C6H5CCH	536743	phenylacetylene	0.0