CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-133.47	4.18	kJ mol^-1	webbook
Hfg(0K)		4.18	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
rCH	1.090		2	1			1987Kuchitsu(II/15)	assumed
rCC	1.534		2	6			1987Kuchitsu(II/15)	assumed
rCO	1.432	0.006	2	11			1987Kuchitsu(II/15)
rON	1.414	0.006	11	13			1987Kuchitsu(II/15)
rNO	1.170	0.006	12	13			1987Kuchitsu(II/15)
aHCC	109.5		1	2	10		1987Kuchitsu(II/15)	assumed
aCCO	107.6		6	2	11		1987Kuchitsu(II/15)	assumed
aHCO	109.5		1	2	11		1987Kuchitsu(II/15)	assumed
aCON	113.2	0.6	2	11	13		1987Kuchitsu(II/15)
aONO	111.2	0.6	11	13	12		1987Kuchitsu(II/15)
aCCC	115.2	1	6	2	10		1987Kuchitsu(II/15)

Bond Type	Count
H-C	7
C-C	2
C-O	1
N-O	1
N=O	1

Atom 1	Atom 2
H1	C2
C2	C6
C2	C10
C2	O11
H3	C6
H4	C6
H5	C6
H7	C10
H8	C10
H9	C10
O11	N13
O12	N13

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
1983End/Oka:327	K Endo, H okamatsu, Y Kamura "MICROWAVE-SPECTRUM AND STRUCTURE OF ISOPROPYL NITRITE" NIPPON KAGAKU KAISHI 3, 327-331, 1983	10.1246/nikkashi.1983.327
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 CH3CH(CH3)ONO (Isopropyl nitrite)

Experimental data for CH₃CH(CH₃)ONO (Isopropyl nitrite)