Pyridine, 3-methyl-

Formula: C₆H₇N
Molecular weight: 93.1265
IUPAC Standard InChI: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
IUPAC Standard InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N
CAS Registry Number: 108-99-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 3-Picoline; β-Methylpyridine; β-Picoline; m-Picoline; 3-Methylpyridine; meta-Methylpyridine; beta-Picoline; 5-Methylpyridine; m-Methylpyridine; NSC 18251
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Condensed phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	61.1 ± 1.3	kJ/mol	Ccb	Gerasimov, Gubareva, et al., 1992	%hf298_condensed[kJ/mol]=-61.1±1.3; ALS
Δ_fH°_liquid	61.71 ± 0.59	kJ/mol	Ccb	Scott, Good, et al., 1963	ALS
Δ_fH°_liquid	68.3 ± 1.0	kJ/mol	Ccb	Cox, Challoner, et al., 1954	ALS
Δ_fH°_liquid	33.	kJ/mol	Ccb	Constam and White, 1903	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-3300.4 ± 1.3	kJ/mol	Ccb	Gerasimov, Gubareva, et al., 1992	%hf298_condensed[kJ/mol]=-61.1±1.3; ALS
Δ_cH°_liquid	-3423.2 ± 0.50	kJ/mol	Ccb	Scott, Good, et al., 1963	ALS
Δ_cH°_liquid	-3429.8 ± 1.0	kJ/mol	Ccb	Cox, Challoner, et al., 1954	ALS
Δ_cH°_liquid	-3402.	kJ/mol	Ccb	Constam and White, 1903	ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	216.31	J/mol*K	N/A	Scott, Good, et al., 1963	DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
158.69	298.15	Scott, Good, et al., 1963	T = 12 to 400 K.; DH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

VAPOR (0.5 MICROLITER AT 150 C); NICOLET FTIR; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 CM^-1 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

References

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Gerasimov, Gubareva, et al., 1992
Gerasimov, P.A.; Gubareva, A.I.; Tarbeeva, N.A.; Kunderenko, V.M., Physicochemical characteristics of β-picoline, J. Appl. Chem. USSR, 1992, 65, 388-390. [all data]

Scott, Good, et al., 1963
Scott, D.W.; Good, W.D.; Guthrie, G.B.; Todd, S.S.; Hossenlopp, I.A.; Osborn, A.G.; McCullough, J.P., Chemical thermodynamic properties and internal rotation of methylpyridines. II. 3-methylpyridine, J. Phys. Chem., 1963, 67, 685-689. [all data]

Cox, Challoner, et al., 1954
Cox, J.D.; Challoner, A.R.; Meetham, A.R., The heats of combustion of pyridine and certain of its derivatives, J. Chem. Soc., 1954, 265-271. [all data]

Constam and White, 1903
Constam, E.J.; White, J., Physico-chemical investigations in the pyridine series, Am. Chem. J., 1903, 29, 1-49. [all data]

Notes

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Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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