Pyridine, 5-ethyl-2-methyl-
- Formula: C8H11N
- Molecular weight: 121.1796
- IUPAC Standard InChIKey: NTSLROIKFLNUIJ-UHFFFAOYSA-N
- CAS Registry Number: 104-90-5
- 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: 2-Picoline, 5-ethyl-; Aldehydecollidine; Aldehydine; Aldehydkollidin; MEP; 2-Methyl-5-ethylpyridine; 3-Ethyl-6-methylpyridine; 5-Ethyl-α-picoline; 5-Ethyl-2-methylpyridine; 5-Ethyl-2-picoline; 6-Methyl-3-ethylpyridine; 2,5-Aldehydine; UN 2300; Collidine, aldehydecollidine; NSC 1984; Pyridine, 2-methyl-5-ethyl
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 8.34 ± 0.48 | kcal/mol | Ccb | Gubareva, Gerasimov, et al., 1992 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -2.72 ± 0.45 | kcal/mol | Ccb | Gubareva, Gerasimov, et al., 1992 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1125.4 ± 0.45 | kcal/mol | Ccb | Gubareva, Gerasimov, et al., 1992 |
Phase change data
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 451.5 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 449.15 | K | N/A | Farberov, Kut'in, et al., 1961 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 11.1 ± 0.1 | kcal/mol | V | Gubareva, Gerasimov, et al., 1992 | ALS |
ΔvapH° | 11.1 | kcal/mol | N/A | Gubareva, Gerasimov, et al., 1992 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.9 | 363. | A | Stephenson and Malanowski, 1987 | Based on data from 348. to 451. K.; AC |
12.3 | 264. | GS | Van de Rostyne and Prausnitz, 1980 | Based on data from 253. to 276. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
325.1 to 449.81 | 2.74793 | 805.918 | -159.98 | Frolov, Loginova, et al., 1961 | Coefficents calculated by NIST from author's data. |
IR Spectrum
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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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, 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
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Additional Data
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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- 528 |
NIST MS number | 229129 |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon L | 130. | 1038. | Shatts, Avots, et al., 1977 | He, Chromosorb W AW-DMCS; Column length: 2.4 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1000. | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1408. | Baltes and Bochmann, 1987 | Column length: 50. m; Column diameter: 0.3 mm; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1019. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 | 1023. | Kubec, Drhová, et al., 1998 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-1 | 982. | Ishihara, Tsuneya, et al., 1992 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C |
Capillary | DB-1 | 986. | Ishihara, Tsuneya, et al., 1992 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 1029. | Li, Gao, et al., 2000 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-FFAP | 1408. | Qian and Reineccius, 2002 | 25. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min |
Capillary | HP-Innowax | 1409. | Kubec, Drhová, et al., 1998 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 190. C @ 10. min |
Capillary | DB-Wax | 1413. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax | 1407. | Baltes and Bochmann, 1987, 2 | Program: not specified |
Capillary | Carbowax | 1408. | Baltes and Bochmann, 1987, 2 | Program: not specified |
Capillary | Carbowax | 1411. | Baltes and Bochmann, 1987, 2 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gubareva, Gerasimov, et al., 1992
Gubareva, A.I.; Gerasimov, P.A.; Tarbeyeva, N.A.; Kunderenko, V.M.,
Physicochemical Properties of 2-methyl-5-ethylpyridine,
Khim.-Farm. Zh., 1992, 26, 40-41. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Farberov, Kut'in, et al., 1961
Farberov, M.I.; Kut'in, A.M.; Ustavshchikov, V.F.,
The conditions of 2-methyl-5-vinylprydine synthesis,
Zh. Prikl. Khim. (Leningrad), 1961, 34, 632. [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]
Van de Rostyne and Prausnitz, 1980
Van de Rostyne, Catherine; Prausnitz, John M.,
Vapor pressures of some nitrogen-containing, coal-derived liquids,
J. Chem. Eng. Data, 1980, 25, 1, 1-3, https://doi.org/10.1021/je60084a008
. [all data]
Frolov, Loginova, et al., 1961
Frolov, A.F.; Loginova, M.A.; Kiselev, M.M.,
Saturated Vapor Pressure and Vapor-Liquid Equilibrium of the System 2-Methyl-5-Vinylpyridine-2-Methyl-5-Ethylpyridine,
Zh. Fiz. Khim., 1961, 35, 8, 1784-1788. [all data]
Shatts, Avots, et al., 1977
Shatts, V.D.; Avots, A.A.; Belikov, V.A.,
Retention indices of alkylpyridines,
Zh. Anal. Khim., 1977, 32, 4, 631-638. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Baltes and Bochmann, 1987
Baltes, W.; Bochmann, G.,
Model reactions on roast aroma formation. 1. Reaction of serine and threonine with sucrose under the conditions of coffee roasting and identification of new coffee aroma compounds,
J. Agric. Food Chem., 1987, 35, 3, 340-346, https://doi.org/10.1021/jf00075a015
. [all data]
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
Kubec, Drhová, et al., 1998
Kubec, R.; Drhová, V.; Velísek, J.,
Thermal degradation of S-methylcysteine and its sulfoxide-important flavor precursors of Bassica and Allium vegetables,
J. Agric. Food Chem., 1998, 46, 10, 4334-4340, https://doi.org/10.1021/jf980379x
. [all data]
Ishihara, Tsuneya, et al., 1992
Ishihara, M.; Tsuneya, T.; Shiga, M.; Kawashima, S.; Yamagishi, K.; Yoshida, F.; Sato, H.; Uneyama, K.,
New pyridine derivatives and basic components in spearmint oil (Mentha gentilis f. cardiaca) and peppermint oil (Mentha piperita),
J. Agric. Food Chem., 1992, 40, 9, 1647-1655, https://doi.org/10.1021/jf00021a034
. [all data]
Li, Gao, et al., 2000
Li, R.; Gao, S.-G.; Xiang, B.-R.,
Using improved BP neural network in predicting GC retention indices,
Computers appl. chem. (Chinese), 2000, 17, 1-2, 113-114. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
. [all data]
Baltes and Bochmann, 1987, 2
Baltes, W.; Bochmann, G.,
Model reactions on roast aroma formations, V. Mass spectrometric identification of pyrifines, oxazoles, and carbocyclic compounds from the reaction of serine and threonine with sucrose under the conditions of coffee roasting,
Z. Lebensm. Unters. Forsch., 1987, 185, 1, 5-9, https://doi.org/10.1007/BF01083331
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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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