CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	100.80	2.10	kJ mol^-1	1997See/Sla:1709
Hfg(0K)		2.10	kJ mol^-1	1997See/Sla:1709
Entropy (298.15K)	284.00	5.00	J K^-1 mol^-1	1997See/Sla:1709
Integrated Heat Capacity (0 to 298.15K)	15.39		kJ mol^-1	TRC
Heat Capacity (298.15K)	72.65		J K^-1 mol^-1	TRC

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
13	A'	530

Bond Type	Count
H-C	7
C-C	2

Atom 1	Atom 2
C1	C2
C1	H9
C1	H10
C2	C3
C2	H7
C2	H8
C3	H4
C3	H5
C3	H6

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	²A^"	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
1997See/Sla:1709	JA Seetula, IR Slagle "Kinetics and thermochemistry of the R + HBR = RH + Br (R= n-C3H7, isoC3H7, n-C4H9, isoC4H9, sec-C4H9 or tert-C4H9" J. Chem. Soc. Faraday Trans. 1997, 93(9), 1709-1719	10.1039/a608224f
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 C3H7 (n-Propyl radical)

Experimental data for C₃H₇ (n-Propyl radical)