CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	122.30	1.21	kJ mol^-1	webbook
Hfg(0K)		1.21	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)	125.95		J K^-1 mol^-1	webbook

Bond Type	Count
H-C	10
C-C	4
C#C	1

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	C5
C5	H6
C5	H7
C5	C8
C8	H9
C8	H10
C8	C11
C11	H12
C11	H13
C11	C16
C14	H15
C14	C16

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				0.830	NSRDS-NBS10	DR	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

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	C5
C5	H6
C5	H7
C5	C8
C8	H9
C8	H10
C8	C11
C11	H12
C11	H13
C11	C16
C14	H15
C14	C16

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

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Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	C5
C5	H6
C5	H7
C5	C8
C8	H9
C8	H10
C8	C11
C11	H12
C11	H13
C11	C16
C14	H15
C14	C16

Experimental data for C6H10 (1-Hexyne)

Experimental data for C₆H₁₀ (1-Hexyne)

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	C5
C5	H6
C5	H7
C5	C8
C8	H9
C8	H10
C8	C11
C11	H12
C11	H13
C11	C16
C14	H15
C14	C16