CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	51.46	1.70	kJ mol^-1	1994Ber/Ell:2744
Hfg(0K)	75.70	1.70	kJ mol^-1	1994Ber/Ell:2744
Entropy (298.15K)	314.00	3.00	J K^-1 mol^-1	1997See/Sla:1709
Integrated Heat Capacity (0 to 298.15K)	18.23		kJ mol^-1	TRC
Heat Capacity (298.15K)	80.03		J K^-1 mol^-1	TRC

Bond Type	Count
H-C	9
C-C	3

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C2	H5
C2	H8
C2	H9
C3	H6
C3	H10
C3	H11
C4	H7
C4	H12
C4	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	²A^"	C_3v	True							C_3v	1	1

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	²A^"	C_3v	True						C_3v	1	1

	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
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 C(CH3)3 (Tert-butyl radical)

Experimental data for C(CH₃)₃ (Tert-butyl radical)