Naphthalene, 1,8-dimethyl-
- Formula: C12H12
- Molecular weight: 156.2237
- IUPAC Standard InChI: InChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3
- 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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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 108.8 ± 3.0 | kJ/mol | Ccb | Mansson, 1974 | Author was aware that data differs from previously reported values; ALS |
| ΔfH°gas | 108.6 | kJ/mol | N/A | Good, 1973 | Value computed using ΔfHsolid° value of 25.9±1.2 kj/mol from Good, 1973 and ΔsubH° value of 82.7 kj/mol from Mansson, 1974.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 40.6 | 50. | Thermodynamics Research Center, 1997 | p=1 bar.; GT |
| 69.8 | 100. | ||
| 98.9 | 150. | ||
| 128.6 | 200. | ||
| 173.8 | 273.15 | ||
| 189.2 | 298.15 | ||
| 190.3 | 300. | ||
| 247.9 | 400. | ||
| 296.2 | 500. | ||
| 335.5 | 600. | ||
| 367.4 | 700. | ||
| 393.9 | 800. | ||
| 416.1 | 900. | ||
| 434.9 | 1000. | ||
| 451. | 1100. | ||
| 464. | 1200. | ||
| 476. | 1300. | ||
| 486. | 1400. | ||
| 495. | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 26.1 ± 3.0 | kJ/mol | Ccb | Mansson, 1974 | crystal phase; Author was aware that data differs from previously reported values; ALS |
| ΔfH°solid | 25.9 ± 1.2 | kJ/mol | Ccb | Good, 1973 | crystal phase; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6463.2 ± 2.6 | kJ/mol | Ccb | Mansson, 1974 | crystal phase; Author was aware that data differs from previously reported values; Corresponding ΔfHºsolid = 26.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -6463.0 ± 1.0 | kJ/mol | Ccb | Good, 1973 | crystal phase; Corresponding ΔfHºsolid = 25.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 224.72 | J/mol*K | N/A | Finke, Messerly, et al., 1977 | DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 242.80 | 298.15 | Finke, Messerly, et al., 1977 | T = 10 to 440 K.; DH |
| 241.8 | 298.15 | Good, 1973 | DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) 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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