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

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	O5
O5	C14
C6	H7
C6	H8
C6	H9
C6	C14
C10	H11
C10	H12
C10	H13
C10	C14
C14	H15

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True							C₁	3	5

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	O5
O5	C14
C6	H7
C6	H8
C6	H9
C6	C14
C10	H11
C10	H12
C10	H13
C10	C14
C14	H15

squib	reference	DOI
1987Kuchitsu(II/15)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	O5
O5	C14
C6	H7
C6	H8
C6	H9
C6	C14
C10	H11
C10	H12
C10	H13
C10	C14
C14	H15

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

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

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	O5
O5	C14
C6	H7
C6	H8
C6	H9
C6	C14
C10	H11
C10	H12
C10	H13
C10	C14
C14	H15