Benzene, pentyl-
- Formula: C11H16
- Molecular weight: 148.2447
- IUPAC Standard InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N
- CAS Registry Number: 538-68-1
- 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: n-Amylbenzene; n-Pentylbenzene; Amylbenzene; Pentane, 1-phenyl-; Pentylbenzene; 1-Phenyl-n-pentane; 1-Phenylpentane; Phenylpentane; Benzene, n-pentyl-; NSC 73982; 74296-33-6
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Phase change data
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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 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 | 471. ± 20. | K | AVG | N/A | Average of 22 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 194.90 | K | N/A | Simon, 1929 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 13.2 ± 0.1 | kcal/mol | GS | Verevkin, 2006 | Based on data from 284. to 323. K.; AC |
ΔvapH° | 13.2 | kcal/mol | N/A | Ru«7825»icka, Zábranský, et al., 1994 | AC |
ΔvapH° | 13.2 | kcal/mol | N/A | Reid, 1972 | AC |
Reaction thermochemistry data
Go To: Top, Phase change data, IR Spectrum, 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+ C4H9Li =
+
By formula: C7H7Br + C4H9Li = C11H16 + BrLi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -80.8 ± 2.6 | kcal/mol | Cm | Fowell and Mortimer, 1961 | liquid phase |
IR Spectrum
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Reaction thermochemistry data, IR 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 | D. LUKE UNILEVER RESEARCH LAB., PORT SUNLIGHT |
NIST MS number | 21390 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.
Simon, 1929
Simon, I.,
Freezing Temperature of Organic Compounds. XI. Compounds in C5 and C6.,
Bull. Soc. Chim. Belg., 1929, 38, 47-70. [all data]
Verevkin, 2006
Verevkin, Sergey P.,
Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes,
The Journal of Chemical Thermodynamics, 2006, 38, 9, 1111-1123, https://doi.org/10.1016/j.jct.2005.11.009
. [all data]
Ru«7825»icka, Zábranský, et al., 1994
Ru«7825»icka, Vlastimil; Zábranský, Milan; Ru«7825»icka, Kvetoslav; Majer, Vladimír,
Vapor pressures for a group of high-boiling alkylbenzenes under environmental conditions,
Thermochimica Acta, 1994, 245, 121-144, https://doi.org/10.1016/0040-6031(94)85073-9
. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Fowell and Mortimer, 1961
Fowell, P.A.; Mortimer, C.T.,
735. Heats of formation and bond energies. Part V. n-Butyl-lithium,
J. Chem. Soc., 1961, 3793-3796. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔrH° Enthalpy of reaction at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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