CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	95.18	0.50	kJ mol^-1	Gurvich
Hfg(0K)	109.34	0.50	kJ mol^-1	Gurvich
Entropy (298.15K)	238.46		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	11.45		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	48.42		J K^-1 mol^-1	Gurvich
Barrier to Internal Rotation	35.8		kJ mol^-1

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A	3398		1975Dur/Gri:133
2	A	3329		1975Dur/Gri:133
3	A	1642		1975Dur/Gri:133
4	A	1275		Gurvich
5	A	1076		1975Dur/Gri:133
6	A	780		Gurvich
7	A	377		1960Yam/Ich:1471
8	B	3350		Gurvich
9	B	3314		Gurvich
10	B	1628		Gurvich
11	B	1275		Gurvich
12	B	966		Gurvich

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNN	1.446		1	2			1974Tsu/Ove:256
rNH	1.016		1	3			1974Tsu/Ove:256
aHNH	106		3	1	5		1974Tsu/Ove:256
aHNN	108.85		1	2	4		1974Tsu/Ove:256

Atom	x (Å)	y (Å)	z (Å)
N1	0.0000	0.7230	-0.1123
N2	0.0000	-0.7230	-0.1123
H3	-0.4470	1.0031	0.7562
H4	0.4470	-1.0031	0.7562
H5	0.9663	1.0031	0.0301
H6	-0.9663	-1.0031	0.0301

	N1	N2	H3	H4	H5	H6
N1		1.4460	1.0161	1.9833	1.0161	1.9833
N2	1.4460		1.9833	1.0161	1.9833	1.0161
H3	1.0161	1.9833		2.1963	1.5889	2.1958
H4	1.9833	1.0161	2.1963		2.1958	1.5889
H5	1.0161	1.9833	1.5889	2.1958		2.7856
H6	1.9833	1.0161	2.1958	1.5889	2.7856

	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

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	H4	106.000	N1	N2	H6	106.000
N2	N1	H3	106.000	N2	N1	H5	106.000
H3	N1	H5	102.860	H4	N2	H6	102.860

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	C₂	True				1.750	1962Kas:1-39	MW μ₀ ± 0.08 D	C₂	1	3

squib	reference	DOI
1960Yam/Ich:1471	A Yamaguchi, I Ichishima, T Shimanouchi, S Mizushima "Far infrared spectrum of hydrazine" Spectrochimica Acta 1960, 16, 1471	10.1016/S0371-1951(60)80022-7
1962Kas:1-39	T Kasuya "Microwave Studies of Internal Motions of Hydrazine Molecule" Scientific Papers of the Institute of Physical and Chemical Research 1962, 56(1), 1-39
1974Tsu/Ove:256	Tsuboi, M., Overend, J., Amino Wagging and Inversion in Hydrazines, J. of Mol. Spec. 52, 256-268	10.1016/0022-2852(74)90117-9
1975Dur/Gri:133	JR Durig, MG Griffin, RW MacNamee "Raman Spectra of Gases XV: Hydrazine and hydrazine-d4" J. Raman Spect. 3 (1975) 133-141	10.1002/jrs.1250030204
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
N=N	1
H-N	4

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Experimental data for N2H4 (Hydrazine)

Experimental data for N₂H₄ (Hydrazine)