CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	105.39	1.92	kJ mol^-1	webbook
Hfg(0K)		1.92	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)	119.50		J K^-1 mol^-1	TRC

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

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

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	¹A₁	C_2v	False							C_2v	1	2
1	2	¹A	C₂	False							C₂	1	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	¹A₁	C_2v	False						C_2v	1	2
1	2	¹A	C₂	False						C₂	1	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	C3
C2	C4
C3	C5
C3	H7
C3	H8
C4	C6
C4	H9
C4	H10
C5	H11
C5	H12
C5	H13
C6	H14
C6	H15
C6	H16

squib	reference	DOI
2004Boh:6814	RK Bohn "A butane analogue, 3-Hexyne, Is Eclipsed" J. Phys. Chem. A 2004, 108, 6814-6816	10.1021/jp0476040
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	C3
C2	C4
C3	C5
C3	H7
C3	H8
C4	C6
C4	H9
C4	H10
C5	H11
C5	H12
C5	H13
C6	H14
C6	H15
C6	H16

Experimental data for C6H10 (3-Hexyne)

Experimental data for C₆H₁₀ (3-Hexyne)

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