CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	144.30	2.10	kJ mol^-1	webbook
Hfg(0K)		2.10	kJ mol^-1	webbook
Heat Capacity (298.15K)	102.56		J K^-1 mol^-1	webbook

Bond Type	Count
C#C	1
C-C	3
H-C	8

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

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	0.839	0.158	0.000	0.853	NISThydrocarbon	μ_a, μ_b, μ_c (x=a y=b z=c)	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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squib	reference	DOI
NISThydrocarbon	NIST Hydrocarbon spectral database (http://www.physics.nist.gov/PhysRefData/MolSpec/Hydro/index.html)	10.18434/T4PC70
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C5H8 (1-pentyne)

Experimental data for C₅H₈ (1-pentyne)