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 C₅H₁₂O

index	Species	CAS number	Name	Relative experimental enthalpy (kJ mol-1)	sketch
a	C5H12O	71410	1-Pentanol	0.0
b	C5H12O	123513	1-Butanol, 3-methyl-
c	C5H12O	137326	1-Butanol, 2-methyl-
d	C5H12O	584021	3-Pentanol
e	C5H12O	598754	2-Butanol, 3-methyl-
f	C5H12O	628284	Butane, 1-methoxy-
g	C5H12O	628320	Propane, 1-ethoxy-
h	C5H12O	1634044	Propane, 2-methoxy-2-methyl-
i	C5H12O	6032297	2-Pentanol