CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	140.38	0.25	kJ mol^-1	1996CHI/STE
Hfg(0K)		0.25	kJ mol^-1	1996CHI/STE
Entropy (298.15K)	282.78	0.03	J K^-1 mol^-1	1996CHI/STE
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1
Heat Capacity (298.15K)	78.23		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
1	A₁	3094		1998KLO
2	A₁	3073		1998KLO
3	A₁	3030		1998KLO
4	A₁	1584		1998KLO
5	A₁	1483		1998KLO
6	A₁	1218		1998KLO
7	A₁	1072		1998KLO
8	A₁	1032		1998KLO
9	A₁	991		1998KLO
10	A₁	601		1998KLO
11	A₂	980		1998KLO
12	A₂	880		1998KLO
13	A₂	373		1998KLO
14	B₁	1007		1998KLO
15	B₁	937		1998KLO
16	B₁	744		1998KLO
17	B₁	700		1998KLO
18	B₁	403		1998KLO
19	B₂	3087		1998KLO
20	B₂	3042		1998KLO
21	B₂	1581		1998KLO
22	B₂	1442		1998KLO
23	B₂	1362		1998KLO
24	B₂	1227		1998KLO
25	B₂	1143		1998KLO
26	B₂	1079		1998KLO
27	B₂	652		1998KLO

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.340		1	3			1966Herzberg
rCC	1.390		3	5			1966Herzberg	near CN bond
rCC	1.400		2	5			1966Herzberg	far from CN bond
aHCC	120.7		5	2	7		1966Herzberg	by symmetry
aCNC	116.7		3	1	4		1966Herzberg
aCCN	124		1	3	5		1966Herzberg
aCCC	118.6		5	2	6		1966Herzberg
aCCC	118.1		2	5	3		1966Herzberg

Bond Type	Count
C:N	2
C:C	4
H-C	5

Atom 1	Atom 2
N1	C3
N1	C4
C2	C5
C2	C6
C2	H7
C3	C5
C3	H8
C4	C6
C4	H9
C5	H10
C6	H11

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	¹A₁	C_2v	True				2.190	NSRDS-NBS10	MW	C_2v	1	2

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1984Gra/Gub	CG Gray, KE Gubbins "Theory of molecular fluids. Volume 1:Fundamentals" Clarendon Press, Oxford 1984
1996CHI/STE	Chirico, R.D.; Steele, W.V., Thermodynamic Properties of pyridine II. Comparisons of new recommended values with the literature. J. Chem. Thermo. 1996, 28, 819-841	10.1006/jcht.1996.0074
1998KLO	Klots, T.D., Raman vapor spectrum and vibrational assignment for pyridine, Spectrochimica Acta A, 54, 1481, 1998	10.1016/S1386-1425(98)00054-7
2000Mar/Fav:8567	A Maris, LB Favero, R Danieli, " Vibrational relaxation in pyridine upon supersonic expansion" J. Chem. Phys. 113(19), 8567, 2000	10.1063/1.1318224
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
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 C5H5N (Pyridine)

Experimental data for C₅H₅N (Pyridine)