CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	11.09	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
Heat Capacity (298.15K)	116.54	J K^-1 mol^-1	TRC

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.536		1	2			1976Hellwege(II/7)
rCC	1.478		4	6			1976Hellwege(II/7)	towards N
rCN	1.159		5	6			1976Hellwege(II/7)
aCCC	110.5		1	2	3		1976Hellwege(II/7)

Bond Type	Count
H-C	9
C-C	4
C#N	1

Atom 1	Atom 2
C1	C2
C1	C4
C1	H8
C1	H9
C2	C3
C2	H10
C2	H11
C3	H7
C3	H12
C3	H13
C4	C6
C4	H14
C4	H15
N5	C6

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				4.120	NSRDS-NBS10	DT	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

Atom 1	Atom 2
C1	C2
C1	C4
C1	H8
C1	H9
C2	C3
C2	H10
C2	H11
C3	H7
C3	H12
C3	H13
C4	C6
C4	H14
C4	H15
N5	C6

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.
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
C1	C2
C1	C4
C1	H8
C1	H9
C2	C3
C2	H10
C2	H11
C3	H7
C3	H12
C3	H13
C4	C6
C4	H14
C4	H15
N5	C6

Experimental data for C5H9N (Pentanenitrile)

Experimental data for C₅H₉N (Pentanenitrile)

Atom 1	Atom 2
C1	C2
C1	C4
C1	H8
C1	H9
C2	C3
C2	H10
C2	H11
C3	H7
C3	H12
C3	H13
C4	C6
C4	H14
C4	H15
N5	C6