CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	134.00	kJ mol^-1	TRC
Hfg(0K)	146.60	kJ mol^-1	TRC
Entropy (298.15K)	309.40	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	17.17	kJ mol^-1	TRC
Heat Capacity (298.15K)	83.85	J K^-1 mol^-1	TRC

Bond Type	Count
H-C	5
C-C	2
C=C	1
C#N	1

Atom 1	Atom 2
C1	N2
C1	C3
C3	H4
C3	C5
C5	H6
C5	C7
C7	H8
C7	H9
C7	H10

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				4.080	NSRDS-NBS10	MW	C_s	2	3

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True						C_s	2	3

	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

squib	reference	DOI
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994

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Experimental data for C4H5N ((Z)-2-Butenenitrile)

Experimental data for C₄H₅N ((Z)-2-Butenenitrile)