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
Go To: Top, 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: 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 |
Phase change data
Go To: Top, Gas phase thermochemistry 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 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 539.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 538.55 | K | N/A | Malanowska and Wecsile, 1964 | Uncertainty assigned by TRC = 0.06 K; TRC |
Tboil | 539.15 | K | N/A | Le Fevre and Le Fevre, 1935 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 332. ± 2. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 16.0 ± 0.05 | kcal/mol | IP,EB | Chirico, Johnson, et al., 2007 | Based on data from 337. to 591. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 20.2 ± 0.36 | kcal/mol | V | Ribeiro da Silva, Matos, et al., 1995 | ALS |
ΔsubH° | 20.2 | kcal/mol | N/A | Ribeiro da Silva, Matos, et al., 1995 | DRB |
ΔsubH° | 20.2 ± 0.36 | kcal/mol | C | Ribeiro da Silva, 1995 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.3 ± 0.02 | 340. | IP,EB | Chirico, Johnson, et al., 2007 | Based on data from 337. to 591. K.; AC |
14.6 ± 0.02 | 380. | IP,EB | Chirico, Johnson, et al., 2007 | Based on data from 337. to 591. K.; AC |
14.0 ± 0.02 | 420. | IP,EB | Chirico, Johnson, et al., 2007 | Based on data from 337. to 591. K.; AC |
13.3 ± 0.02 | 460. | IPEB | Chirico, Johnson, et al., 2007 | Based on data from 337. to 591. K.; AC |
12.7 ± 0.02 | 500. | IP,EB | Chirico, Johnson, et al., 2007 | Based on data from 337. to 591. K.; AC |
12.0 ± 0.05 | 540. | IP,EB | Chirico, Johnson, et al., 2007 | Based on data from 337. to 591. K.; AC |
11.2 ± 0.1 | 580. | IP,EB | Chirico, Johnson, et al., 2007 | Based on data from 337. to 591. K.; AC |
13.3 | 476. | A | Stephenson and Malanowski, 1987 | Based on data from 461. to 541. 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 |
---|---|---|---|---|---|
461.61 to 539.44 | 4.03394 | 1735.613 | -108.278 | Malanowska and Wecsile, 1964, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.88 | 330.8 | AC,DSC | Chirico, Johnson, et al., 2007 | AC |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, 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
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-3208 |
NIST MS number | 227668 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, 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.
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]
Malanowska and Wecsile, 1964
Malanowska, B.; Wecsile, J.,
Vapour pressures and boiling temperatures of some quinoline bases.,
Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1964, 12, 239. [all data]
Le Fevre and Le Fevre, 1935
Le Fevre, C.G.; Le Fevre, R.J.W.,
The dipole moments and structures of some quinoline derivatives, and the orientation of Claus and Hoffmann's x-nitroisoquinoline,
J. Chem. Soc., 1935, 1935, 1470-5. [all data]
Chirico, Johnson, et al., 2007
Chirico, Robert D.; Johnson, Russell D.; Steele, William V.,
Thermodynamic properties of methylquinolines: Experimental results for 2,6-dimethylquinoline and mutual validation between experiments and computational methods for methylquinolines,
The Journal of Chemical Thermodynamics, 2007, 39, 5, 698-711, https://doi.org/10.1016/j.jct.2006.10.012
. [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]
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]
Malanowska and Wecsile, 1964, 2
Malanowska, B.; Wecsile, J.,
Vapour Pressures and Boiling Temperatures of Some Quinoline Bases,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1964, 12, 4, 239-241. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation 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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