CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-7.80	0.80	kJ mol^-1	1970COX/PIL
Hfg(0K)		0.80	kJ mol^-1	1970COX/PIL
Entropy (298.15K)	301.31		J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	16.80		kJ mol^-1	TRC
Heat Capacity (298.15K)	80.15		J K^-1 mol^-1	webbook

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	A₁	3033		1974sve/kov
2	A₁	2965		1974sve/kov
3	A₁	2878		1974sve/kov
4	A₁	1669		1974sve/kov
5	A₁	1448		1974sve/kov
6	A₁	1397		1974sve/kov
7	A₁	1261		1974sve/kov
8	A₁	986		1974sve/kov
9	A₁	880		1974sve/kov
10	A₁	290		1974sve/kov
11	A₂	2988		1974sve/kov
12	A₂	1464		1974sve/kov
13	A₂	1037		1974sve/kov
14	A₂	880		1974sve/kov
15	A₂	396		1974sve/kov
17	B₁	2965		1974sve/kov
18	B₁	1448		1974sve/kov
19	B₁	986		1974sve/kov
20	B₁	673		1974sve/kov
22	B₂	3033		1974sve/kov
23	B₂	2965		1974sve/kov
24	B₂	2900		1974sve/kov
25	B₂	1448		1974sve/kov
26	B₂	1420		1974sve/kov
27	B₂	1397		1974sve/kov
28	B₂	1135		1974sve/kov
29	B₂	986		1974sve/kov
30	B₂	583		1974sve/kov

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.506		1	3			1976Hellwege(II/7)
rCC	1.346		1	2			1976Hellwege(II/7)
aCCC	125.4		2	1	3		1976Hellwege(II/7)

Bond Type	Count
H-C	8
C-C	2
C=C	1

Atom 1	Atom 2
C1	C2
C1	C3
C1	H5
C2	C4
C2	H6
C3	H7
C3	H9
C3	H10
C4	H8
C4	H11
C4	H12

	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

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	True			0.257	0.257	NISThydrocarbon	MW +- 0.005 D μ₀	C_2v	1	2

squib	reference	DOI
1970COX/PIL	J.D. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds" Academic Press, London, 1970	10.1002/bbpc.19700740727
1974sve/kov	L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
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 CH3CHCHCH3 (2-Butene, (Z)-)

Experimental data for CH₃CHCHCH₃ (2-Butene, (Z)-)