Naphthalene, 1-ethyl-
- Formula: C12H12
- Molecular weight: 156.2237
- IUPAC Standard InChI: InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
- IUPAC Standard InChIKey: ZMXIYERNXPIYFR-UHFFFAOYSA-N
- CAS Registry Number: 1127-76-0
- 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: α-Ethylnaphthalene; 1-Ethylnaphthalene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 44.20 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. A combination of experimental and estimated molecular parameters was used in this statistical thermodynamics calculation. |
| 69.93 | 100. | ||
| 96.31 | 150. | ||
| 124.8 | 200. | ||
| 169.4 | 273.15 | ||
| 184.8 | 298.15 | ||
| 185.9 | 300. | ||
| 244.0 | 400. | ||
| 293.2 | 500. | ||
| 333.0 | 600. | ||
| 365.5 | 700. | ||
| 392.3 | 800. | ||
| 414.8 | 900. | ||
| 433.7 | 1000. | ||
| 449.8 | 1100. | ||
| 463.6 | 1200. | ||
| 475.4 | 1300. | ||
| 485.6 | 1400. | ||
| 494.4 | 1500. |
Condensed phase thermochemistry data
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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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -6171. | kJ/mol | Ccb | Hipsher and Wise, 1954 | ΔHfusion=3.9 kcal/mol; Corresponding ΔfHºliquid = -270. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| <0.147 ± 0.056 | ECD | Wojnarovits and Foldiak, 1981 | EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.05 eV, anion unbound. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Hipsher and Wise, 1954
Hipsher, H.F.; Wise, P.H.,
Dicyclic hydrocarbons. VIII. 1-Alkylnaphthalenes and some of their tetrahydro derivatives,
J. Am. Chem. Soc., 1954, 76, 1747-1748. [all data]
Wojnarovits and Foldiak, 1981
Wojnarovits, L.; Foldiak, G.,
Electron capture detection of aromatic hydrocarbons,
J. Chromatogr. Sci., 1981, 206, 511. [all data]
Chen and Wentworth, 1989
Chen, E.C.M.; Wentworth, W.E.,
Experimental Determination of Electron Affinities of Organic Molecules,
Mol. Cryst. Liq. Cryst., 1989, 171, 271. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas EA Electron affinity ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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