Quinoline, 2,7-dimethyl-
- Formula: C11H11N
- Molecular weight: 157.2117
- IUPAC Standard InChIKey: QXKPLNCZSFACPU-UHFFFAOYSA-N
- CAS Registry Number: 93-37-8
- 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: m-Toluquinaldine; 2,7-Dimethylquinoline
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Condensed phase thermochemistry data
Go To: Top, Phase change data, 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°solid | 34.3 ± 2.6 | kJ/mol | Ccb | Ribeiro da Silva, Matos, et al., 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -5935.0 ± 2.1 | kJ/mol | Ccb | Ribeiro da Silva, Matos, et al., 1995 |
Phase change data
Go To: Top, Condensed phase thermochemistry data, 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 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 | 537.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 334. | K | N/A | Bowen, Belfit, et al., 1953 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 334. | K | N/A | Manske, Marion, et al., 1942 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 87.5 ± 1.5 | kJ/mol | V | Ribeiro da Silva, Matos, et al., 1995 | ALS |
ΔsubH° | 87.5 | kJ/mol | N/A | Ribeiro da Silva, Matos, et al., 1995 | DRB |
ΔsubH° | 87.5 ± 1.5 | kJ/mol | C | Ribeiro da Silva, 1995 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
388.7 | 0.009 | Weast and Grasselli, 1989 | BS |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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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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-8649 |
NIST MS number | 229251 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 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 |
---|---|---|---|---|---|
Capillary | OV-101 | 140. | 1400. | Dmitrikov and Nabivach, 1995 | He |
Capillary | OV-101 | 160. | 1415. | Dmitrikov and Nabivach, 1995 | He |
Capillary | OV-101 | 140. | 1400. | Berlizov, Nabivach, et al., 1987 | N2; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 160. | 1415. | Berlizov, Nabivach, et al., 1987 | N2; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 140. | 1392. | Berlizov, Berezkin, et al., 1986 | N2; Column length: 15. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 140. | 1393. | Berlizov, Berezkin, et al., 1986 | N2; Column length: 15. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 140. | 1397. | Berlizov, Berezkin, et al., 1986 | N2; Column length: 15. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 140. | 1400. | Berlizov, Berezkin, et al., 1986 | N2; Column length: 15. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 140. | 1402. | Berlizov, Berezkin, et al., 1986 | N2; Column length: 15. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 150. | 1400. | Morishita, Morimoto, et al., 1986 | N2; Column length: 20. m; Column diameter: 0.23 mm |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1425. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 140. | 2018. | Dmitrikov and Nabivach, 1995 | He |
Capillary | PEG-20M | 160. | 2044. | Dmitrikov and Nabivach, 1995 | He |
Capillary | PEG-20M | 140. | 2018. | Berlizov, Nabivach, et al., 1987 | N2; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 160. | 2044. | Berlizov, Nabivach, et al., 1987 | N2; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 140. | 2018. | Buryan, Macák, et al., 1987 | N2; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 160. | 2044. | Buryan, Macák, et al., 1987 | N2; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 150. | 2036. | Morishita, Morimoto, et al., 1986 | N2; Column length: 20. m; Column diameter: 0.23 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1430. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 243.54 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | SE-52 | 244.04 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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.
Ribeiro da Silva, Matos, et al., 1995
Ribeiro da Silva, M.A.V.; Matos, M.A.R.; Amaral, L.M.P.F.,
Standard enthalpies of formation and of sublimation of 2,6-dimethylquinoline and 2,7-dimethylquinoline,
J. Chem. Thermodyn., 1995, 27, 1141-1145. [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]
Bowen, Belfit, et al., 1953
Bowen, D.M.; Belfit, R.W.; Walser, R.A.,
The Synthesis and Nitration of 2,6- and 2,7-Dimethylquinoline and of 2,5,8-trimethylquinoline,
J. Am. Chem. Soc., 1953, 75, 4307. [all data]
Manske, Marion, et al., 1942
Manske, R.H.F.; Marion, L.; Leger, F.,
The synthesis and characterization of the monomethyl and dimethylquinolines,
Can. J. Res., Sect. B, 1942, 20, 133-52. [all data]
Ribeiro da Silva, 1995
Ribeiro da Silva, M.,
Standard enthalpies of formation and of sublimation of 2,6-dimethylquinoline and 2,7-dimethylquinoline,
The Journal of Chemical Thermodynamics, 1995, 27, 10, 1141-1145, https://doi.org/10.1006/jcht.1995.0118
. [all data]
Dmitrikov and Nabivach, 1995
Dmitrikov, V.P.; Nabivach, V.M.,
Physico-chemical regularities of quinoline bases retention in gas chromatography,
Coke Chem. (Engl. Transl.), 1995, 8, 27-34. [all data]
Berlizov, Nabivach, et al., 1987
Berlizov, Yu.S.; Nabivach, V.M.; Mitrikov, V.P.,
Capillary gas chromatography of alkylquinolines,
Zh. Anal. Khim., 1987, 62, 6, 1119-1124. [all data]
Berlizov, Berezkin, et al., 1986
Berlizov, Yu.S.; Berezkin, V.G.; Korolev, A.A.; Nabivach, W.M.; Triska, J.; Holik, R.; Vodicka, L.,
Investigation of chromatographic properties of gass and quartz capillary columns,
Zh. Anal. Khim., 1986, 519-522. [all data]
Morishita, Morimoto, et al., 1986
Morishita, F.; Morimoto, S.; Kojima, T.,
Prediction of molecular structures of aza-arenes by retention indices and fluorescence spectra,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 11, 688-692, https://doi.org/10.1002/jhrc.1240091120
. [all data]
Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses,
J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1
. [all data]
Buryan, Macák, et al., 1987
Buryan, P.; Macák, J.; Triska, J.; Vodicka, L.; Berlizov, Yu.S.; Dmitrikov, V.P.; Nabivach, V.M.,
Kováts retention indices of alkylquinolines on capillary columns,
J. Chromatogr., 1987, 391, 89-96, https://doi.org/10.1016/S0021-9673(01)94307-9
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L.,
Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices,
J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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