Naphthalene, 2-ethyl-
- Formula: C12H12
- Molecular weight: 156.2237
- IUPAC Standard InChIKey: RJTJVVYSTUQWNI-UHFFFAOYSA-N
- CAS Registry Number: 939-27-5
- 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: β-Ethylnaphthalene; 2-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 |
---|---|---|---|
11.22 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. A combination of experimental and estimated molecular parameters was used in this statistical thermodynamics calculation. |
17.14 | 100. | ||
23.28 | 150. | ||
29.78 | 200. | ||
39.99 | 273.15 | ||
43.57 | 298.15 | ||
43.83 | 300. | ||
57.48 | 400. | ||
69.19 | 500. | ||
78.80 | 600. | ||
86.66 | 700. | ||
93.16 | 800. | ||
98.61 | 900. | ||
103.2 | 1000. | ||
107.1 | 1100. | ||
110.5 | 1200. | ||
113.3 | 1300. | ||
115.8 | 1400. | ||
117.9 | 1500. |
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 | 527. ± 6. | K | AVG | N/A | Average of 15 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 308. | K | N/A | Kochetkov, Nifant'ev, et al., 1957 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 265.7 | K | N/A | Adkins and Davis, 1949 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 265.8 | K | N/A | Koelbel, 1949 | Uncertainty assigned by TRC = 1. K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.5 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
16.6 | 284. | N/A | Sasse, Jose, et al., 1988 | Based on data from 269. to 398. K.; AC |
14.8 | 301. | A | Stephenson and Malanowski, 1987 | Based on data from 286. to 319. K.; AC |
13.6 | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 565. K.; AC |
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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
<0.195 ± 0.061 | ECD | Wojnarovits and Foldiak, 1981 | EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.1 eV, anion unbound.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.95 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
7.95 | PE | Klasinc, Kovac, et al., 1983 | Vertical value; LBLHLM |
IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
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. 636 |
Instrument | n.i.g. |
Melting point | -7.4 |
Boiling point | 258 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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]
Kochetkov, Nifant'ev, et al., 1957
Kochetkov, N.K.; Nifant'ev, E.E.; Nesmeyanov, A.N.,
Cyclic Acetals of β-Oxoaldehydes and Their Use in Synthesis of Alkylnaphthalenes,
Izv. Akad. Nauk S.S.S.R., 1957, 1957, 949-55. [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]
Koelbel, 1949
Koelbel, H.,
Alkylnaphthalenes as Lubricating-oil Models,
Brennst.-Chem., 1949, 30, 73-80. [all data]
Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank,
Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons,
J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148
. [all data]
Sasse, Jose, et al., 1988
Sasse, Karim; Jose, Jacques; Merlin, Jean-Claude,
A static apparatus for measurement of low vapor pressures. Experimental results on high molecular-weight hydrocarbons,
Fluid Phase Equilibria, 1988, 42, 287-304, https://doi.org/10.1016/0378-3812(88)80065-7
. [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]
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]
Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H.,
Photoelectron spectra of acenes. Electronic structure and substituent effects,
Pure Appl. Chem., 1983, 55, 289. [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, Phase change data, Gas phase ion energetics data, IR Spectrum, 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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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