CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	140.70	kJ mol^-1	TRC
Hfg(0K)	160.50	kJ mol^-1	TRC
Entropy (298.15K)	334.90	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	19.35	kJ mol^-1	TRC
Heat Capacity (298.15K)	101.00	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'	3041		1996Dur/Bel:1843
2	A'	2981		1996Dur/Bel:1843
3	A'	2963		1996Dur/Bel:1843
4	A'	2912		1996Dur/Bel:1843
5	A'	2902		1996Dur/Bel:1843
6	A'	1965		1996Dur/Bel:1843
7	A'	1463		1996Dur/Bel:1843
8	A'	1451		1996Dur/Bel:1843
9	A'	1442		1996Dur/Bel:1843
10	A'	1377		1996Dur/Bel:1843
11	A'	1343		1996Dur/Bel:1843
12	A'	1309		1996Dur/Bel:1843
13	A'	1127		1996Dur/Bel:1843
14	A'	1071		1996Dur/Bel:1843
15	A'	987		1996Dur/Bel:1843
16	A'	850		1996Dur/Bel:1843
17	A'	841		1996Dur/Bel:1843
18	A'	618		1996Dur/Bel:1843
19	A'	359		1996Dur/Bel:1843
20	A'	147		1996Dur/Bel:1843
21	A"	3054		1996Dur/Bel:1843
22	A"	2977		1996Dur/Bel:1843
23	A"	2937		1996Dur/Bel:1843
24	A"	1463		1996Dur/Bel:1843
25	A"	1261		1996Dur/Bel:1843
26	A"	1085		1996Dur/Bel:1843
27	A"	1002		1996Dur/Bel:1843
28	A"	875		1996Dur/Bel:1843
29	A"	781		1996Dur/Bel:1843
30	A"	530		1996Dur/Bel:1843
31	A"	340		1996Dur/Bel:1843
32	A"
33	A"	103		1996Dur/Bel:1843

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

Atom 1	Atom 2
C1	C2
C1	C3
C1	H6
C1	H7
C2	H8
C2	H9
C2	H10
C3	C4
C3	H11
C4	C5
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^'	C₁	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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squib	reference	DOI
1996Dur/Bel:1843	Durig, Bell, and Guirgis. Infrared and Raman Spectra, Conformational Stability, ab initio Calculations and Vibrational Assignment for 1,2-pentadiene (ethyl allene). Spectrochimica Acta Part A. Vol. 52. pgs. 1843-1859.	10.1016/S0584-8539(96)01740-0
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 (1,2-Pentadiene)

Experimental data for C₅H₈ (1,2-Pentadiene)