Naphthalene, 2,7-dimethyl-
- Formula: C12H12
- Molecular weight: 156.2237
- IUPAC Standard InChIKey: LRQYSMQNJLZKPS-UHFFFAOYSA-N
- CAS Registry Number: 582-16-1
- 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: 2,7-Dimethylnaphthalene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 19.0 ± 0.1 | kcal/mol | Ccb | Chirico, Knipmeyer, et al., 1993 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.9 | 50. | Thermodynamics Research Center, 1997 | p=1 bar.; GT |
18.2 | 100. | ||
23.8 | 150. | ||
29.85 | 200. | ||
39.87 | 273.15 | ||
43.40 | 298.15 | ||
43.67 | 300. | ||
57.34 | 400. | ||
69.07 | 500. | ||
78.70 | 600. | ||
86.59 | 700. | ||
93.12 | 800. | ||
98.59 | 900. | ||
103.2 | 1000. | ||
107. | 1100. | ||
110. | 1200. | ||
113. | 1300. | ||
116. | 1400. | ||
118. | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 67.725 | cal/mol*K | N/A | Chirico, Knipmeyer, et al., 1993 | DH |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -1.30 ± 0.27 | kcal/mol | Ccb | Good, 1973 | crystal phase; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1537.21 ± 0.23 | kcal/mol | Ccb | Good, 1973 | crystal phase; Corresponding ΔfHºsolid = -1.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 54.630 | cal/mol*K | N/A | Finke, Messerly, et al., 1977 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
60.194 | 298.15 | Chirico, Knipmeyer, et al., 1993 | T = 298 to 700 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
48.850 | 298.15 | Finke, Messerly, et al., 1977 | T = 10 to 440 K.; DH |
48.40 | 298.15 | Good, 1973 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 536.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 538. | K | N/A | Coulson, 1935 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 370.15 | K | N/A | Luther and Riechel, 1950 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 368.81 | K | N/A | Finke, Messerly, et al., 1977, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 368.81 | K | N/A | Osborn and Douslin, 1975 | Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 775. ± 2. | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 775. | K | N/A | Chirico, Knipmeyer, et al., 1993, 2 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 32. ± 2. | atm | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 31.92 | atm | N/A | Chirico, Knipmeyer, et al., 1993, 2 | Uncertainty assigned by TRC = 0.987 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.601 | l/mol | N/A | Tsonopoulos and Ambrose, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.7 ± 0.2 | mol/l | N/A | Tsonopoulos and Ambrose, 1995 | |
ρc | 1.63 | mol/l | N/A | Chirico, Knipmeyer, et al., 1993, 2 | Uncertainty assigned by TRC = 0.19 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.7 | 400. | N/A | Chirico, Knipmeyer, et al., 1993 | AC |
13.1 | 440. | N/A | Chirico, Knipmeyer, et al., 1993 | AC |
12.5 | 480. | N/A | Chirico, Knipmeyer, et al., 1993 | AC |
11.8 | 520. | N/A | Chirico, Knipmeyer, et al., 1993 | AC |
11.1 | 560. | N/A | Chirico, Knipmeyer, et al., 1993 | AC |
14.0 | 384. | A | Stephenson and Malanowski, 1987 | Based on data from 369. to 400. K. See also Osborn and Douslin, 1975, 2 and Boublik, Fried, et al., 1984.; AC |
14.2 | 368.8 | IP | Finke, Messerly, et al., 1977 | Based on data from 369. to 398. K.; AC |
14.0 | 380. | IP | Finke, Messerly, et al., 1977 | Based on data from 369. to 398. K.; AC |
13.9 | 390. | IP | Finke, Messerly, et al., 1977 | Based on data from 369. to 398. 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 |
---|---|---|---|---|---|
369. to 398. | 4.54348 | 2136.17 | -62.904 | Osborn and Douslin, 1975, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.2 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 368. K.; AC |
20.0 ± 0.2 | 345. | N/A | Finke, Messerly, et al., 1977 | Based on data from 340. to 369. K. See also Osborn and Douslin, 1975, 2.; AC |
19.9 | 369. | B | Osborn and Douslin, 1975, 2 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.58110 | 368.81 | N/A | Finke, Messerly, et al., 1977 | DH |
5.31 | 370.2 | DSC | Cheon and Kim, 2007 | AC |
5.581 | 368.8 | N/A | Acree, 1991 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.13 | 368.81 | Finke, Messerly, et al., 1977 | DH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 | CONTINENTAL OIL CO., PONCA CITY, OKLA., USA |
NIST MS number | 39301 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Chirico, Knipmeyer, et al., 1993
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V.,
The thermodynamic properties to the temperature 700 K of naphthalene and of 2,7-dimethylnaphthalene,
J. Chem. Thermodyn., 1993, 25, 1461-1494. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Good, 1973
Good, W.D.,
The enthalpies of combustion and formation of 1,8-dimethylnaphthalene, 2,3-dimethylnaphthalene, 2,6-dimethylnaphthalene, and 2,7-dimethylnaphthalene,
J. Chem. Thermodyn., 1973, 5, 715-720. [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, 937-956. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Coulson, 1935
Coulson, E.A.,
J. Chem. Soc., 1935, 1935, 77. [all data]
Luther and Riechel, 1950
Luther, H.; Riechel, C.,
The Raman Spectra of Polymethylnphthalenes,
Z. Phys. Chem. (Leipzig), 1950, 195, 103. [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. [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]
Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons,
J. Chem. Eng. Data, 1995, 40, 547-558. [all data]
Chirico, Knipmeyer, et al., 1993, 2
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V.,
The thermodynamic properties to the temperature 700 K of naphthalene and of 2,7-dimethylnaphthalene,
J. Chem. Thermodyn., 1993, 25, 1461-94. [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]
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid Pc Critical pressure S°liquid Entropy of liquid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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