CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Entropy (298.15K)	285.60	2.90	J K^-1 mol^-1	TRC
Heat Capacity (298.15K)	82.20		J K^-1 mol^-1	webbook

Bond Type	Count
C-C	4
H-C	8

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

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	0.097		0.100	0.139	1968For/Bea:4671	x=a, z=c	C_s	2	3

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True						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
1968For/Bea:4671	RG Ford, RA Beaudet "Microwave spectra of Methylcyclopropanes. II. Methylcyclopropane	10.1063/1.1668043
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 C4H8 (methylcyclopropane)

Experimental data for C₄H₈ (methylcyclopropane)