CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	28.40	kJ mol^-1	TRC
Hfg(0K)	53.00	kJ mol^-1	TRC
Entropy (298.15K)	264.40	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)		kJ mol^-1
Heat Capacity (298.15K)	70.60	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	2951		1982Ale/Ant:15
2	A₁	2862		1982Ale/Ant:15
3	A₁	1468		1982Ale/Ant:15
4	A₁	1153		1982Ale/Ant:15
5	A₁	1004		1982Ale/Ant:15
6	A₁	199		1982Ale/Ant:15
7	A₂	1260		1982Ale/Ant:15
8	A₂	941		1982Ale/Ant:15
9	B₁	1231		1982Ale/Ant:15
10	B₁	1142		1982Ale/Ant:15
11	B₁	928		1982Ale/Ant:15
12	B₂	2973		1982Ale/Ant:15
13	B₂	2934		1982Ale/Ant:15
14	B₂	1440		1982Ale/Ant:15
15	B₂	883		1982Ale/Ant:15
16	B₂	625		1982Ale/Ant:15
17	E	2959		1982Ale/Ant:15
18	E	2862		1982Ale/Ant:15
19	E	1441		1982Ale/Ant:15
20	E	1252		1982Ale/Ant:15
21	E	1217		1982Ale/Ant:15
22	E	893		1982Ale/Ant:15
23	E	746		1982Ale/Ant:15

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.555		1	3			1998Kuc
rCH	1.093		1	5			1998Kuc	axial H
rCH	1.091		1	6			1998Kuc	equatorial H
aHCC	119.93		1	3	10		1998Kuc	axial
aHCC	130.74		1	3	9		1998Kuc	equatorial
dCCCC	27.5	1.1	1	3	2	4	1987Ega/Fuk:6018

Bond Type	Count
H-C	8
C-C	4

Atom 1	Atom 2
C1	C3
C1	C4
C1	H5
C1	H6
C2	C3
C2	C4
C2	H7
C2	H8
C3	H9
C3	H10
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	D_2d	True							D_2d	0	1

squib	reference	DOI
1982Ale/Ant:15	VT Aleksanyan BG Antipov "Some Remarks on the Assignment of the Vibrational Spectra of Cyclobutane" J. Mol. Structure 89 (1982) 15-24	10.1016/0166-1280(82)80147-4
1987Ega/Fuk:6018	T Egawa, T Fukuyama, S Yamamoto, F Tkabayashi, H Kambara, T Ueda, K Kuchitsu "Molecular structure and puckering potential function of cyclobutane studied by gas electron diffraction and infrared spectroscopy" J. Chem. Phys. 86(11), 6018, 1987	10.1063/1.452489
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
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 C4H8 (cyclobutane)

Experimental data for C₄H₈ (cyclobutane)