CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-22.50	kJ mol^-1	TRC
Hfg(0K)	-7.80	kJ mol^-1	TRC
Entropy (298.15K)	242.89	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	11.85	kJ mol^-1	TRC
Heat Capacity (298.15K)	50.05	J K^-1 mol^-1	TRC
Barrier to Internal Rotation	8.3	kJ mol^-1

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A'	3361		Shim					NH₂ s-str
2	A'	2961		Shim					CH₃ d-stretch
3	A'	2820		Shim					CH₃ s-stretch
4	A'	1623		Shim					NH₂ scissors
5	A'	1473		Shim					CH₃ d-deform
6	A'	1430		Shim					CH₃ s-deform
7	A'	1130		Shim					CH₃ rock
8	A'	1044		Shim					CN stretch
9	A'	780		Shim					NH₂ wag
10	A"	3427		Shim					NH₂ a-str
11	A"	2985		Shim					CH₃ d-stretch
12	A"	1485		Shim					CH₃ d-deform
13	A"	1335		1968Dur/Bus:2106					NH₂ twist
14	A"			Shim				1195 assignment questionable	CH₃ rock
15	A"	268		Shim					torsion

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.471	0.003	1	2			1998Kuc	r0
rNH	1.018	0.001	2	6			1998Kuc	r0
rCH	1.093	0.000	1	3			1998Kuc	r0
aHNH	105.8	0.1	6	2	7		1998Kuc
aHNC	111	0.3	1	2	6		1998Kuc
aHCH	108.4	0.1	3	1	4		1998Kuc

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

Atom 1	Atom 2
C1	N2
C1	H3
C1	H4
C1	H5
N2	H6
N2	H7

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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				1.310	NSRDS-NBS10	MW	C_s	2	3

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1968Dur/Bus:2106	JR Durig, SF Bush, FG Baglin "Infrared and Raman Investigation of Condensed Phases of Methylamine and Its Deuterium Derivatives" J. Chem. Phys. 49, 2106, 1968	10.1063/1.1670372
1997Oln/Can:59	TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98	10.1016/S0301-0104(97)00145-6
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
2003Bae/Cho:11040	SJ Baek, K-W Choi, YS Choi "Spectroscopy and dynamics of methylamine. II. Rotational and Vibrational structures of CH3NH2 and CH3ND2 in cationic D0 states" J. Chem. Phys. 118(24), 11040, 2003	10.1063/1.1575735
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
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 CH3NH2+ (methyl amine cation)

Experimental data for CH₃NH₂⁺ (methyl amine cation)