Quinoline, 2,6-dimethyl-
- Formula: C11H11N
- Molecular weight: 157.2117
- IUPAC Standard InChIKey: JJPSZKIOGBRMHK-UHFFFAOYSA-N
- CAS Registry Number: 877-43-0
- 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: p-Toluquinaldine; 2,6-Dimethylquinoline; 6-Methylquinaldine
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Gas 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°gas | 28.90 ± 0.69 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1995 |
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°solid | 8.70 ± 0.69 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1419.0 ± 0.48 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1995 |
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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | WYANDOTTE CHEMICALS CORP. |
Source reference | COBLENTZ NO. 6451 |
Date | Not specified, most likely prior to 1970 |
Name(s) | 2,6-dimethylquinoline |
State | SOLUTION (CCl4 FOR 2-10.1, CS2 FOR 10.1-16 MICRON) |
Instrument | BAIRD (PRISM) |
Instrument parameters | NaCl PRISM |
Path length | 0.010 CM, 0.010 CM SPECTRAL CONTAMINATION DUE TO AN UNKNOWN AROUND 1700 CM-1 |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY |
Melting point | 57.5 C |
Mass spectrum (electron ionization)
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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
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-3208 |
NIST MS number | 227668 |
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 |
---|---|---|---|---|---|
Capillary | OV-101 | 140. | 1397. | Dmitrikov and Nabivach, 1995 | He |
Capillary | OV-101 | 160. | 1414. | Dmitrikov and Nabivach, 1995 | He |
Capillary | OV-101 | 140. | 1397. | Berlizov, Nabivach, et al., 1987 | N2; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 160. | 1414. | Berlizov, Nabivach, et al., 1987 | N2; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 150. | 1399. | Morishita, Morimoto, et al., 1986 | N2; Column length: 20. m; Column diameter: 0.23 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 140. | 2019. | Dmitrikov and Nabivach, 1995 | He |
Capillary | PEG-20M | 160. | 2044. | Dmitrikov and Nabivach, 1995 | He |
Capillary | PEG-20M | 140. | 2019. | 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. | 2019. | 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 |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 243.76 | 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 | 244.19 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
Capillary | SE-52 | 242.43 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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.
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]
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]
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]
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]
Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M.,
Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons,
Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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