CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	82.80	kJ mol^-1	TRC
Hfg(0K)	103.00	kJ mol^-1	TRC
Entropy (298.15K)	322.95	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	18.95	kJ mol^-1	TRC
Heat Capacity (298.15K)	97.18	J K^-1 mol^-1	TRC

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A'	3060		1974sve/kov
2	A'	3060		1974sve/kov
3	A'	3015		1974sve/kov
4	A'	2998		1974sve/kov
5	A'	2998		1974sve/kov
6	A'	2938		1974sve/kov
7	A'	2919		1974sve/kov
8	A'	1656		1974sve/kov
9	A'	1602		1974sve/kov
10	A'	1445		1974sve/kov
11	A'	1435		1974sve/kov
12	A'	1391		1974sve/kov
13	A'	1357		1974sve/kov
14	A'	1300		1974sve/kov
15	A'	1254		1974sve/kov
16	A'	1169		1974sve/kov
17	A'	1025		1974sve/kov
18	A'	964		1974sve/kov
19	A'	840		1974sve/kov
20	A'	627		1974sve/kov
21	A'	402		1974sve/kov
22	A'	144		1974sve/kov
23	A"	2975		1974sve/kov
24	A"	1471		1974sve/kov
25	A"	1009		1974sve/kov
26	A"	997		1974sve/kov
27	A"	921		1974sve/kov
28	A"	906		1974sve/kov
29	A"	773		1974sve/kov
30	A"	627		1974sve/kov
31	A"	456		1974sve/kov
32	A"	171		1974sve/kov

Bond Type	Count
H-C	8
C-C	2
C=C	2

Atom 1	Atom 2
C1	C2
C1	H6
C1	H7
C2	C3
C2	H8
C3	C4
C3	H9
C4	C5
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	0.465	0.185		0.500	NISThydrocarbon	x=a, y=b	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
1974sve/kov	L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974
NISThydrocarbon	NIST Hydrocarbon spectral database (http://www.physics.nist.gov/PhysRefData/MolSpec/Hydro/index.html)	10.18434/T4PC70
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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Experimental data for C5H8 (1,3-Pentadiene, (Z)-)

Experimental data for C₅H₈ (1,3-Pentadiene, (Z)-)