CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-106.27	1.67	kJ mol^-1	webbook
Hfg(0K)		1.67	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1
Heat Capacity (298.15K)	120.30		J K^-1 mol^-1	TRC

Bond Type	Count
H-C	9
H-N	2
C-C	3
C-N	1

Atom 1	Atom 2
N1	H2
N1	H3
N1	C8
C4	H5
C4	H6
C4	H7
C4	C8
C8	H9
C8	C10
C10	H11
C10	H12
C10	C13
C13	H14
C13	H15
C13	H16

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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Atom 1	Atom 2
N1	H2
N1	H3
N1	C8
C4	H5
C4	H6
C4	H7
C4	C8
C8	H9
C8	C10
C10	H11
C10	H12
C10	C13
C13	H14
C13	H15
C13	H16

squib	reference	DOI
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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Atom 1	Atom 2
N1	H2
N1	H3
N1	C8
C4	H5
C4	H6
C4	H7
C4	C8
C8	H9
C8	C10
C10	H11
C10	H12
C10	C13
C13	H14
C13	H15
C13	H16

Experimental data for CH3C(NH2)HCH2CH3 (2-Butanamine)

Experimental data for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)

Atom 1	Atom 2
N1	H2
N1	H3
N1	C8
C4	H5
C4	H6
C4	H7
C4	C8
C8	H9
C8	C10
C10	H11
C10	H12
C10	C13
C13	H14
C13	H15
C13	H16