Naphthalene, 1,8-dimethyl-
- Formula: C12H12
- Molecular weight: 156.2237
- IUPAC Standard InChIKey: XAABPYINPXYOLM-UHFFFAOYSA-N
- CAS Registry Number: 569-41-5
- 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: 1,8-Dimethylnaphthalene
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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 |
---|---|---|---|---|---|
Tfus | 335. | K | N/A | Kotula and Rabczuk, 1985 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 336.32 | K | N/A | Finke, Messerly, et al., 1977 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 336.32 | K | N/A | Osborn and Douslin, 1975 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 19.8 ± 0.07 | kcal/mol | C | Månsson, Fredga, et al., 1974 | See also Pedley and Rylance, 1977.; AC |
ΔsubH° | 19.8 ± 0.07 | kcal/mol | C | Mansson, 1974 | crystal phase; Author was aware that data differs from previously reported values; ALS |
ΔsubH° | 19.8 | kcal/mol | N/A | Mansson, 1974 | DRB |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
413.2 | 0.024 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.0 | 353. | A | Stephenson and Malanowski, 1987 | Based on data from 338. to 413. K. See also Osborn and Douslin, 1975, 2 and Boublik, Fried, et al., 1984.; AC |
15.5 | 336. | IP | Finke, Messerly, et al., 1977, 2 | Based on data from 338. to 413. K.; AC |
14.9 | 360. | IP | Finke, Messerly, et al., 1977, 2 | Based on data from 338. to 413. K.; AC |
14.5 | 380. | IP | Finke, Messerly, et al., 1977, 2 | Based on data from 338. to 413. K.; AC |
14.3 | 400. | IP | Finke, Messerly, et al., 1977, 2 | Based on data from 338. to 413. 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 |
---|---|---|---|---|---|
338. to 413. | 4.46840 | 2151.342 | -67.192 | Osborn and Douslin, 1975, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.6 | 332. | A | Stephenson and Malanowski, 1987 | Based on data from 328. to 336. K.; AC |
19.0 | 336. | B | Osborn and Douslin, 1975, 2 | See also Colomina, Jimenez, et al., 1979.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
0.01120 | 336.33 | N/A | Finke, Messerly, et al., 1977, 2 | DH |
4.429 | 338.2 | DSC | Cheon and Kim, 2007 | AC |
3.769 | 336.3 | N/A | Acree, 1991 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.20 | 336.33 | Finke, Messerly, et al., 1977, 2 | DH |
IR Spectrum
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: 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 | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
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
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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-6299 |
NIST MS number | 230888 |
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.
Kotula and Rabczuk, 1985
Kotula, I.; Rabczuk, A.,
DTA Investigation of the Solid-Liquid Equilibrium for Mehtyl Derivatives of Naphthalene with Some Nitroaromatics,
J. Therm. Anal., 1985, 30, 195. [all data]
Finke, Messerly, et al., 1977
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R.,
Comprehensive thermodynamic studies of seven aromatic hydrocarbons,
J. Chem. Thermodyn., 1977, 9, 937. [all data]
Osborn and Douslin, 1975
Osborn, A.G.; Douslin, D.R.,
Vapor Pressure and Derived Enthalpies of Vaporization for Some Condensed Ring Hydrocarbons,
J. Chem. Eng. Data, 1975, 20, 229-31. [all data]
Månsson, Fredga, et al., 1974
Månsson, Margret; Fredga, Arne; Ställberg, Gunnel; Thorin, Hans,
A Calorimetric Study of peri Strain in 1,8-Dimethylnaphthalene and 1,4,5,8-Tetramethylnaphthalene.,
Acta Chem. Scand., 1974, 28b, 677-680, https://doi.org/10.3891/acta.chem.scand.28b-0677
. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
, Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]
Mansson, 1974
Mansson, M.,
A calorimetric study of peri strain in 1,8-Dimethylnaphthalene and 1,4,5,8-Tetramethylnaphthalene,
Acta Chem. Scand., Ser. B, 1974, 28, 677-680. [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]
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, 1975, 2
Osborn, Ann G.; Douslin, Donald R.,
Vapor pressures and derived enthalpies of vaporization for some condensed-ring hydrocarbons,
J. Chem. Eng. Data, 1975, 20, 3, 229-231, https://doi.org/10.1021/je60066a022
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Finke, Messerly, et al., 1977, 2
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R.,
Comprehensive thermodynamic studies of seven aromatic hydrocarbons,
J. Chem. Thermodyn., 1977, 9, 937-956. [all data]
Colomina, Jimenez, et al., 1979
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
An. Quim., 1979, 75, 620. [all data]
Cheon and Kim, 2007
Cheon, Yang-Ho; Kim, Kwang-Joo,
Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers,
J. Chem. Eng. Data, 2007, 52, 4, 1390-1393, https://doi.org/10.1021/je700088n
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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