Benzene, (1-octyldodecyl)-
- Formula: C26H46
- Molecular weight: 358.6434
- IUPAC Standard InChIKey: KZUKFVROQBTEQY-UHFFFAOYSA-N
- CAS Registry Number: 2398-65-4
- 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. - Other names: Eicosane, 9-phenyl-; 9-Phenyleicosane
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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°liquid | -476.0 ± 6.3 | kJ/mol | Ccb | Knowlton and Huffman, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = -477.8 kJ/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -16329.3 ± 6.3 | kJ/mol | Ccb | Knowlton and Huffman, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = -16328. kJ/mol; Corresponding ΔfHºliquid = -476.06 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 291.05 | K | N/A | Anonymous, 1968 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
91.9 | 498. | A,MG | Stephenson and Malanowski, 1987 | Based on data from 483. to 520. K. See also Schiessler and Whitmore, 1955.; AC |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.1 ± 0.1 | EI | King, 1965 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C7H7+ | 12.1 ± 0.1 | ? | EI | King, 1965 | |
C15H23+ | 10.3 ± 0.1 | ? | EI | King, 1965 | |
C18H29+ | 10.12 | ? | EI | King, 1965 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, UV/Visible spectrum, 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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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 | CONTINENTAL OIL CO., PONCA CITY, OKLA, USA |
NIST MS number | 34750 |
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.
Spectrum
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Additional Data
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Source | Kusakov, et al., 1963 |
---|---|
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. 20019 |
Instrument | unknown |
Melting point | 17.9 |
Boiling point | 196/ 1 mm |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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.
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]
Anonymous, 1968
Anonymous, R.,
Properties of hydrocarbon of high molecular weight, Am. Pet. Inst. Res. Proj. 42, Penn. State Univ., 1968. [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]
Kusakov, et al., 1963
Kusakov, M.M., et al.,
Ultraviolet Absorption Spectra of Aromatic Hydrocarbons, 1963, 54. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
AE Appearance energy Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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