CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-83.70	kJ mol^-1	TRC
Hfg(0K)	-56.90	kJ mol^-1	TRC
Entropy (298.15K)	312.24	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	18.80	kJ mol^-1	TRC
Heat Capacity (298.15K)	97.55	J K^-1 mol^-1	TRC

Bond Type	Count
H-C	7
H-N	2
C-C	2
C-n	1

Atom 1	Atom 2
C1	N2
C1	H3
C1	C4
C1	C5
N2	H6
N2	H7
C4	H8
C4	H10
C4	H12
C5	H9
C5	H11
C5	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^'	C_s	True		0.100	1.190	1.190	1977Meh/Gri:244	μ_b=0.1± 0.04, μ_c=1.19 ± 0.03 D	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
1977Meh/Gri:244	SC Mehrotra, LL Griffin, CO Britt, JE Boggs "Microwave Spectrum, Structure, Dipole Moment, and Quadrupole Coupling Constants of Isopropylamine" J. Mol. Spec. 64, 244-251 (1977)	10.1016/0022-2852(77)90264-8
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
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 CH3CH(NH2)CH3 (2-Propanamine)

Experimental data for CH₃CH(NH₂)CH₃ (2-Propanamine)