Benzene, (1-ethyloctadecyl)-
- Formula: C26H46
- Molecular weight: 358.6434
- IUPAC Standard InChIKey: KPJGRQMPFRXLSD-UHFFFAOYSA-N
- CAS Registry Number: 2400-02-4
- 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. - Species with the same structure:
- Other names: Eicosane, 3-phenyl-; 3-Phenyleicosane
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -548.8 ± 6.3 | kJ/mol | Ccb | Knowlton and Huffman, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = -550.6 kJ/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -16256.5 ± 6.3 | kJ/mol | Ccb | Knowlton and Huffman, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = -16255. kJ/mol; Corresponding ΔfHºsolid = -548.86 kJ/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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
92.1 | 504. | A,MG | Stephenson and Malanowski, 1987 | Based on data from 489. to 526. K. See also Schiessler and Whitmore, 1955. |
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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C7H7+ | 12.2 ± 0.1 | ? | EI | King, 1965 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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: 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 | CONTINENTAL OIL CO., PONCA CITY, OKLA, USA |
NIST MS number | 34747 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
Knowlton and Huffman, 1944
Knowlton, J.W.; Huffman, H.M.,
The heats of combustion of some substituted eicosanes, heneicosanes and docosanes,
J. Am. Chem. Soc., 1944, 66, 1492-1494. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]
Schiessler and Whitmore, 1955
Schiessler, R.W.; Whitmore, F.C.,
Properties of High Molecular Weight Hydrocarbons,
Ind. Eng. Chem., 1955, 47, 8, 1660-1665, https://doi.org/10.1021/ie50548a054
. [all data]
King, 1965
King, A.B.,
Mass-spectral fragmentation of phenyl-n-alkanes,
J. Chem. Phys., 1965, 42, 3526. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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