CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-148.62	kJ mol^-1	webbook
Hfg(0K)		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
rCC	1.330		10	11			1987Kuchitsu(II/15)
rCC	1.501		6	10			1987Kuchitsu(II/15)
rCO	1.353		5	10			1987Kuchitsu(II/15)	C has two C bonds
rCO	1.416		1	5			1987Kuchitsu(II/15)	methyl C
rCH	1.087		11	12			1987Kuchitsu(II/15)	C has =
aCCC	123.9		6	10	11		1987Kuchitsu(II/15)
aCCO	125.8		5	10	11		1987Kuchitsu(II/15)
aCOC	116		1	5	10		1987Kuchitsu(II/15)
aHCC	121.4		10	11	12		1987Kuchitsu(II/15)
aHCC	112.1		7	6	10		1987Kuchitsu(II/15)
aHCO	109.7		2	1	5		1987Kuchitsu(II/15)
d	11.9		1	5	10	11	1987Kuchitsu(II/15)	torsion around =CO bond

Bond Type	Count
H-C	8
C-C	1
C=C	1
C-O	2

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	O5
O5	C10
C6	H7
C6	H8
C6	H9
C6	C10
C10	C11
C11	H12
C11	H13

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	C₁	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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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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Experimental data for CH2C(CH3)OCH3 (1-Propene, 2-methoxy-)

Experimental data for CH₂C(CH₃)OCH₃ (1-Propene, 2-methoxy-)