CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-252.04	0.96	kJ mol^-1	webbook
Hfg(0K)		0.96	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCO	1.416		5				1987Kuchitsu(II/15)	to end C
rCO	1.422		5	14			1987Kuchitsu(II/15)	to propyl side
rCC	1.528		6	14			1987Kuchitsu(II/15)
rCC	1.519		10	14			1987Kuchitsu(II/15)
rCH	1.090		6	7			1987Kuchitsu(II/15)	!assumed, propyl side, end C
rCH	1.095		14	15			1987Kuchitsu(II/15)	!assumed, propyl side, center C
rCH	1.095		1	2			1987Kuchitsu(II/15)	methyl side
aCOC	112.5		1	5	14		1987Kuchitsu(II/15)
aCCO	113.7		5	14	6		1987Kuchitsu(II/15)
aCCO	107.7		5	14	10		1987Kuchitsu(II/15)
aCCC	112.7		6	14	10		1987Kuchitsu(II/15)
dCOCH	47		1	5	14	15	1987Kuchitsu(II/15)
dCOCC	71.9		1	5	14	6	1987Kuchitsu(II/15)	!assumed
dCOCC	162.6		1	5	14	10	1987Kuchitsu(II/15)	!assumed

Bond Type	Count
H-C	10
C-C	2
C-O	2

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for C4H10O (Propane, 2-methoxy-)

Experimental data for C₄H₁₀O (Propane, 2-methoxy-)