Pentacosane, 13-phenyl-
- Formula: C31H56
- Molecular weight: 428.7763
- IUPAC Standard InChI: InChI=1S/C31H56/c1-3-5-7-9-11-13-15-17-19-22-26-30(31-28-24-21-25-29-31)27-23-20-18-16-14-12-10-8-6-4-2/h21,24-25,28-30H,3-20,22-23,26-27H2,1-2H3
- IUPAC Standard InChIKey: FARZSOUCOJBKMW-UHFFFAOYSA-N
- CAS Registry Number: 6006-90-2
- 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: Benzene, (1-dodecyltridecyl)-; 13-Phenylpentacosane
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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 |
|---|---|---|---|---|---|
| ΔfH°solid | -687.0 ± 7.6 | kJ/mol | Ccb | Parks, West, et al., 1946 | Reanalyzed by Cox and Pilcher, 1970, Original value = -689.1 ± 0.3 kJ/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -19515.0 ± 7.5 | kJ/mol | Ccb | Parks, West, et al., 1946 | Reanalyzed by Cox and Pilcher, 1970, Original value = -19513.3 ± 7.8 kJ/mol; Corresponding ΔfHºsolid = -687.05 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 | 304.85 | K | N/A | Anonymous, 1968 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tfus | 138.1 | K | N/A | Parks, West, et al., 1946, 2 | Uncertainty assigned by TRC = 6.27 K; TRC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 106.7 | 510. | A,MG | Stephenson and Malanowski, 1987 | Based on data from 495. to 560. K. See also Schiessler and Whitmore, 1955.; AC |
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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| 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. |
|---|---|
| NIST MS number | 17419 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A.,
Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols,
J. Am. Chem. Soc., 1946, 68, 2524-2527. [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]
Parks, West, et al., 1946, 2
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A.,
Thermal Data on Organic Compounds XXIII. Modern Combustion Data for Fourteen Hydrocarbons and Five Polyhydric Alcohols,
J. Am. Chem. Soc., 1946, 68, 2524. [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]
Notes
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- Symbols used in this document:
Tfus Fusion (melting) point 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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