CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-42.09	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)	130.83	J K^-1 mol^-1	TRC

Bond Type	Count
H-C	12
C-C	4
C=C	1

Atom 1	Atom 2
C1	C2
C1	H7
C1	H8
C2	C3
C2	H9
C3	C4
C3	H10
C3	H11
C4	C5
C4	H12
C4	H13
C5	C6
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18

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							C₁	3	5

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						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	H7
C1	H8
C2	C3
C2	H9
C3	C4
C3	H10
C3	H11
C4	C5
C4	H12
C4	H13
C5	C6
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18

squib	reference	DOI
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/Sue:1141	GT Fraser, RD Suenram, CL Lugez "Rotational spectra of seven conformational isomers of 1-hexene" J. Phys. Chem. A 104(6) 1141-1146, 2000	10.1021/jp993248n
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	H7
C1	H8
C2	C3
C2	H9
C3	C4
C3	H10
C3	H11
C4	C5
C4	H12
C4	H13
C5	C6
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18

Experimental data for C6H12 (hex-1-ene)

Experimental data for C₆H₁₂ (hex-1-ene)

Atom 1	Atom 2
C1	C2
C1	H7
C1	H8
C2	C3
C2	H9
C3	C4
C3	H10
C3	H11
C4	C5
C4	H12
C4	H13
C5	C6
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18