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 C₆H₆O

index	Species	CAS number	Name	Relative experimental enthalpy (kJ mol-1)	sketch
a	C6H6O	24599573	2,4-Cyclohexadienone
b	C6H5OH	108952	phenol	0.0
c	C6H6O	5664335	2,5-Cyclohexadienone	46.4