CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-5.02	1.26	kJ mol^-1	webbook
Hfg(0K)		1.26	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
rNO	1.223		1	11			1976Hellwege(II/7)
rNN	1.382		11	12			1976Hellwege(II/7)
rCN	1.460		6	12			1976Hellwege(II/7)
rCH	1.121		3	6			1976Hellwege(II/7)
aNNO	114.8		1	11	12		1976Hellwege(II/7)
aHCN	101.91		3	6	12		1976Hellwege(II/7)
aCNC	127.61		6	12	10		1976Hellwege(II/7)
aCNN	116.2		6	12	11		1976Hellwege(II/7)
aONO	130.4		1	11	2		1976Hellwege(II/7)

Bond Type	Count
H-C	6
C-N	2
N-N	1
N=O	2

Atom 1	Atom 2
O1	N11
O2	N11
H3	C6
H4	C6
H5	C6
C6	N12
H7	C10
H8	C10
H9	C10
C10	N12
N11	N12

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
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C2H6N2O2 (Dimethylnitroamine)

Experimental data for C₂H₆N₂O₂ (Dimethylnitroamine)