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
View 3d structure (requires JavaScript / HTML 5) - Other names: 1,8-Dimethylnaphthalene
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Condensed phase thermochemistry data
Go To: Top, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 6.24 ± 0.72 | kcal/mol | Ccb | Mansson, 1974 | crystal phase; Author was aware that data differs from previously reported values; ALS |
| ΔfH°solid | 6.19 ± 0.29 | kcal/mol | Ccb | Good, 1973 | crystal phase; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1544.7 ± 0.62 | kcal/mol | Ccb | Mansson, 1974 | crystal phase; Author was aware that data differs from previously reported values; Corresponding ΔfHºsolid = 6.24 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -1544.70 ± 0.25 | kcal/mol | Ccb | Good, 1973 | crystal phase; Corresponding ΔfHºsolid = 6.20 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 53.709 | cal/mol*K | N/A | Finke, Messerly, et al., 1977 | DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 58.031 | 298.15 | Finke, Messerly, et al., 1977 | T = 10 to 440 K.; DH |
| 57.79 | 298.15 | Good, 1973 | DH |
Mass spectrum (electron ionization)
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| 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, Condensed phase thermochemistry 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.
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]
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, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
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°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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