Pyridine, 3-methyl-
- Formula: C6H7N
- Molecular weight: 93.1265
- 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
The 3d structure may be viewed using Java or Javascript. - 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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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 417.0 ± 0.7 | K | AVG | N/A | Average of 20 out of 22 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 255. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 255.010 | K | N/A | Scott, Good, et al., 1963 | Uncertainty assigned by TRC = 0.06 K; by extrapolation of 1/f, from calorimeter, to zero; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 645. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 644.85 | K | N/A | Ambrose and Grant, 1957 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.6 ± 0.4 | kcal/mol | AVG | N/A | Average of 10 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.927 | 417.3 | N/A | Majer and Svoboda, 1985 | |
10.3 ± 0.02 | 320. | EB | Chirico, Knipmeyer, et al., 1999 | Based on data from 314. to 457. K.; AC |
9.78 ± 0.02 | 360. | EB | Chirico, Knipmeyer, et al., 1999 | Based on data from 314. to 457. K.; AC |
9.23 ± 0.02 | 400. | EB | Chirico, Knipmeyer, et al., 1999 | Based on data from 314. to 457. K.; AC |
8.63 ± 0.05 | 440. | EB | Chirico, Knipmeyer, et al., 1999 | Based on data from 314. to 457. K.; AC |
9.58 | 389. | A | Stephenson and Malanowski, 1987 | Based on data from 374. to 458. K.; AC |
9.01 | 465. | A | Stephenson and Malanowski, 1987 | Based on data from 450. to 570. K.; AC |
8.80 | 576. | A | Stephenson and Malanowski, 1987 | Based on data from 561. to 645. K.; AC |
9.87 | 362. | EB,IP | Stephenson and Malanowski, 1987 | Based on data from 347. to 458. K. See also Osborn and Douslin, 1968.; AC |
9.87 | 362. | EB | Stephenson and Malanowski, 1987 | Based on data from 347. to 458. K. See also Scott, Good, et al., 1963, 2.; AC |
10.4 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1984 | AC |
10.2 ± 0.02 | 328. | C | Majer, Svoboda, et al., 1984 | AC |
10.0 ± 0.02 | 343. | C | Majer, Svoboda, et al., 1984 | AC |
9.66 ± 0.02 | 368. | C | Majer, Svoboda, et al., 1984 | AC |
9.61 ± 0.02 | 372. | C | Scott, Good, et al., 1963, 2 | AC |
9.30 ± 0.02 | 393. | C | Scott, Good, et al., 1963, 2 | AC |
8.94 ± 0.02 | 417. | C | Scott, Good, et al., 1963, 2 | AC |
9.80 | 369. | MG | Herington and Martin, 1953 | Based on data from 354. to 418. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 417. | 14.59 | 0.2913 | 645. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
347.19 to 457.72 | 4.17308 | 1484.307 | -61.606 | Osborn and Douslin, 1968 |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.9 | 240. | Stephenson and Malanowski, 1987 | Based on data from 225. to 255. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.3891 | 255.01 | Scott, Good, et al., 1963, 2 | DH |
3.389 | 255. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.29 | 255.01 | Scott, Good, et al., 1963, 2 | DH |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-5548 |
NIST MS number | 228545 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Ambrose and Grant, 1957
Ambrose, D.; Grant, D.G.,
The Critical Temperatures of Some Hydrocarbons and Pyridine Bases,
Trans. Faraday Soc., 1957, 53, 771. [all data]
Chirico, Knipmeyer, et al., 1999
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V.,
Thermodynamic properties of the methylpyridines. Part 2. Vapor pressures, heat capacities, critical properties, derived thermodynamic functions between the temperatures 250 K and 560 K, and equilibrium isomer distributions for all temperatures ≥250 K,
The Journal of Chemical Thermodynamics, 1999, 31, 3, 339-378, https://doi.org/10.1006/jcht.1998.0451
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Osborn and Douslin, 1968
Osborn, Ann G.; Douslin, Donald R.,
Vapor pressure relations of 13 nitrogen compounds related to petroleum,
J. Chem. Eng. Data, 1968, 13, 4, 534-537, https://doi.org/10.1021/je60039a024
. [all data]
Scott, Good, et al., 1963, 2
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]
Majer, Svoboda, et al., 1984
Majer, V.; Svoboda, V.; Lencka, M.,
Enthalpies of vaporization and cohesive energies of pyridine and isomeric methylpyridines,
J. Chem. Thermodyn., 1984, 16, 1019-1024. [all data]
Herington and Martin, 1953
Herington, E.F.G.; Martin, J.F.,
Vapour pressures of pyridine and its homologues,
Trans. Faraday Soc., 1953, 49, 154, https://doi.org/10.1039/tf9534900154
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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