CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-22.30	1.30	kJ mol^-1	1970COX/PIL
Hfg(0K)		1.30	kJ mol^-1	1970COX/PIL

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
dCCCC	-119.3		1	2	3	4	2000Fra/Xu:6209
dCCCC	-178.2		2	3	4	5	2000Fra/Xu:6209

Bond Type	Count
C-C	3
C=C	1
H-C	10

Atom 1	Atom 2
C1	C2
C1	H6
C1	H7
C2	C3
C2	H8
C3	C4
C3	H9
C3	H10
C4	C5
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15

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	0.377	0.102		0.391	2000Fra/Xu:6209	x=a, y=b	C₁	3	5
1	2	¹A	C₁	False							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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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
C1	C2
C1	H6
C1	H7
C2	C3
C2	H8
C3	C4
C3	H9
C3	H10
C4	C5
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15

squib	reference	DOI
1970COX/PIL	J.D. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds" Academic Press, London, 1970	10.1002/bbpc.19700740727
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
2000Fra/Xu:6209	GT Fraser, LH Xu, RD Suenram, CL Lugez "Rotational spectra of four of the five conformers of 1-pentene" J. Chem. Phys. 112(14) 6209-6217, 2000	10.1063/1.481220
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
C1	C2
C1	H6
C1	H7
C2	C3
C2	H8
C3	C4
C3	H9
C3	H10
C4	C5
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15

Experimental data for CH2CHCH2CH2CH3 (1-pentene)

Experimental data for CH₂CHCH₂CH₂CH₃ (1-pentene)

Atom 1	Atom 2
C1	C2
C1	H6
C1	H7
C2	C3
C2	H8
C3	C4
C3	H9
C3	H10
C4	C5
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15