CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	121.50	kJ mol^-1	TRC
Hfg(0K)	144.90	kJ mol^-1	TRC
Entropy (298.15K)	297.38	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	15.79	kJ mol^-1	TRC
Heat Capacity (298.15K)	87.40	J K^-1 mol^-1	webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.101		1	6			1995Kuchitsu(II/23)	average
rCC	1.331		3	5			1995Kuchitsu(II/23)
rCC	1.524		1	3			1995Kuchitsu(II/23)	from C with methylene
rCC	1.557		1	4			1995Kuchitsu(II/23)
aCCC	92		1	3	2		1995Kuchitsu(II/23)	center C has methyl
aHCH	106		6	1	8		1995Kuchitsu(II/23)	average
aHCC	120		3	5	10		1995Kuchitsu(II/23)	!assumed

Bond Type	Count
H-C	8
C-C	4
C=C	1

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

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				0.514	1971Vau:21		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
1971Fly/Ben:225	WH Flygare, RC Benson "The molecular Zeeman effect in diamagnetic molecules and the determination of molecular magnetic moments (g values), magnetic susceptibilities, and molecular quadrupole moments" Mol. Phys. 1971, 20 (2), 225-250	10.1080/00268977100100221
1971Vau:21	WE Vaughan, Digest of literature on dielectrics, v.33, 1969, 21
1991She/Dor:237	Q Sen, OV Dorofeeva, VS Mastryukov, A Almeninngen "J. Mol. Struct. 246(3-4) 237-245, 1991	10.1016/0022-2860(91)80130-V
1995Kuchitsu(II/23)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Molecules and Radicals Volume 23: Structure Data for Free Polyatomic Molecules. Springer. Berlin. 1995
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 (Cyclobutane, methylene-)

Experimental data for C₅H₈ (Cyclobutane, methylene-)