CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	67.36	2.10	kJ mol^-1	1994Ber/Ell:2744
Hfg(0K)	91.63	2.10	kJ mol^-1	1994Ber/Ell:2744
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1
Heat Capacity (298.15K)	91.31		J K^-1 mol^-1	TRC

Bond Type	Count
H-C	9
C-C	3

Atom 1	Atom 2
C1	H2
C1	H3
C1	H4
C1	C5
C5	H6
C5	C7
C7	H8
C7	H9
C7	C10
C10	H11
C10	H12
C10	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

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	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
1994Ber/Ell:2744	J Berkowitz, GB Ellison, D Gutman "Three Methods To Measure RH Bond Energies" J. Phys. Chem. 1994, 98, 2744-2765	10.1021/j100062a009
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 CH3CHCH2CH3 (2-Butyl radical)

Experimental data for CH₃CHCH₂CH₃ (2-Butyl radical)