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
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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.56 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. A combination of experimental and estimated molecular parameters was used in this statistical thermodynamics calculation. |
| 16.71 | 100. | ||
| 23.02 | 150. | ||
| 29.83 | 200. | ||
| 40.49 | 273.15 | ||
| 44.17 | 298.15 | ||
| 44.43 | 300. | ||
| 58.32 | 400. | ||
| 70.08 | 500. | ||
| 79.59 | 600. | ||
| 87.36 | 700. | ||
| 93.76 | 800. | ||
| 99.14 | 900. | ||
| 103.7 | 1000. | ||
| 107.5 | 1100. | ||
| 110.8 | 1200. | ||
| 113.6 | 1300. | ||
| 116.1 | 1400. | ||
| 118.2 | 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 | -1475. | kcal/mol | Ccb | Hipsher and Wise, 1954 | ΔHfusion=3.9 kcal/mol; Corresponding ΔfHºliquid = -64. kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 540. ± 70. | K | AVG | N/A | Average of 17 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 259.27 | K | N/A | Hipsher and Wise, 1954, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Tfus | 258. | K | N/A | Adkins and Davis, 1949 | Uncertainty assigned by TRC = 3. K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.7 | 408. | A,GS | Stephenson and Malanowski, 1987 | Based on data from 393. to 565. K. See also Macknick and Prausnitz, 1979.; 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 |
|---|---|---|---|---|---|
| 343. to 531.3 | 4.7010 | 2330.396 | -35.83 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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. |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% CCl4 FOR 3800-1335, 10% CS2 FOR 1335-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | M.C. HAMMING CONTINENTAL OIL CO., PONCA CITY, OKLA., USA |
| NIST MS number | 5254 |
UV/Visible spectrum
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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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| Source | Ramart-Lucas, 1950 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 635 |
| Instrument | n.i.g. |
| Melting point | -13.9 |
| Boiling point | 258.6 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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]
Hipsher and Wise, 1954, 2
Hipsher, H.F.; Wise, P.H.,
Dicyclic Hydrocarbons VIII. 1-Alkylnaphthalenes and Some of Their Tetrahydro Derivatives,
J. Am. Chem. Soc., 1954, 76, 1747-8. [all data]
Adkins and Davis, 1949
Adkins, H.; Davis, J.W.,
Catalytic Dehydrogenation of Hydroaromatic Compounds in Benzene II.,
J. Am. Chem. Soc., 1949, 71, 2955. [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]
Macknick and Prausnitz, 1979
Macknick, A. Brian; Prausnitz, John M.,
Vapor pressures of high-molecular-weight hydrocarbons,
J. Chem. Eng. Data, 1979, 24, 3, 175-178, https://doi.org/10.1021/je60082a012
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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]
Ramart-Lucas, 1950
Ramart-Lucas, P.,
Introduction a l'etude du comportement spectral des combinaisons polynucleaires,
Bull. Soc. Chim. Fr., 1950, 17, 259-265. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas EA Electron affinity Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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