Benzene, decyl-
- Formula: C16H26
- Molecular weight: 218.3776
- IUPAC Standard InChIKey: UZILCZKGXMQEQR-UHFFFAOYSA-N
- CAS Registry Number: 104-72-3
- 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: Decane, 1-phenyl-; n-Decylbenzene; Decylbenzene; 1-Phenyldecane
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°gas | 161.10 ± 0.50 | cal/mol*K | N/A | Messerly J.F., 1965 |
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°liquid | -52.37 ± 0.47 | kcal/mol | Ccb | Fraser and Prosen, 1955 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2341.37 ± 0.88 | kcal/mol | Ccb | Loeffler and Rossini, 1960 | Corresponding ΔfHºliquid = -51.544 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -2340.58 ± 0.42 | kcal/mol | Ccb | Fraser and Prosen, 1955 | Corresponding ΔfHºliquid = -52.33 kcal/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:
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 | 566.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 258.74 ± 0.06 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 258.75 | K | N/A | Messerly, Todd, et al., 1965 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 18.7 ± 0.07 | kcal/mol | GS | Verevkin, 2006 | Based on data from 318. to 363. K.; AC |
ΔvapH° | 19.1 | kcal/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.6 | 328. | N/A | Kasehgari, Mokbel, et al., 1993 | Based on data from 313. to 433. K.; AC |
17.9 | 386. | A | Stephenson and Malanowski, 1987 | Based on data from 371. to 427. K.; AC |
14.7 | 490. | A,IP | Stephenson and Malanowski, 1987 | Based on data from 475. to 571. K. See also Camin, Forziati, et al., 1954.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
476.14 to 570.9 | 4.16533 | 1912.506 | -111.891 | Camin, Forziati, et al., 1954 | Coefficents calculated by NIST from author's data. |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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
View image of digitized spectrum (can be printed in landscape orientation).
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 | Japan AIST/NIMC Database- Spectrum MS-NW-1016 |
NIST MS number | 228246 |
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. 20012 |
Instrument | unknown |
Melting point | - 14.4 |
Boiling point | 298 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.
Messerly J.F., 1965
Messerly J.F.,
Low-temperature thermodynamic properties of n-propyl- and n-butyl-benzene,
J. Phys. Chem., 1965, 69, 4304-4310. [all data]
Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J.,
Heats of combustion of liquid n-hexadecane, 1-hexadecene, n-decylbenzene, n-decylcyclohexane, n-decylcyclopentane, and the variation of heat of combustion with chain length,
J. Res. NBS, 1955, 55, 329-333. [all data]
Loeffler and Rossini, 1960
Loeffler, S.M.C.; Rossini, F.D.,
Heats of combustion and formation of the higher normal alkyl cyclopentanes, cyclohexanes, benzenes and 1-alkenes in the liquid state at 25°,
J. Phys. Chem., 1960, 64, 1530-1533. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Messerly, Todd, et al., 1965
Messerly, J.F.; Todd, S.S.; Finke, H.L.,
Low-Temperature Thermodynamic Prop. of n-Propyl and n-Butylbenzenes,
J. Phys. Chem., 1965, 69, 4304-11. [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]
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]
Kasehgari, Mokbel, et al., 1993
Kasehgari, H.; Mokbel, I.; Viton, C.; Jose, J.,
Vapor pressure of 11 alkylbenzenes in the range 10-3 -- 280 torr, correlation by equation of state,
Fluid Phase Equilibria, 1993, 87, 1, 133-152, https://doi.org/10.1016/0378-3812(93)85022-E
. [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]
Camin, Forziati, et al., 1954
Camin, David L.; Forziati, Alphonse F.; Rossini, Frederick D.,
Physical Properties of n-Hexadecane, n-Decylcyclopentane, n-Decylcyclohexane, 1-Hexadecene and n-Decylbenzene,
J. Phys. Chem., 1954, 58, 5, 440-442, https://doi.org/10.1021/j150515a015
. [all data]
Kusakov, et al., 1963
Kusakov, M.M., et al.,
Ultraviolet Absorption Spectra of Aromatic Hydrocarbons, 1963, 50. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
S°gas Entropy of gas at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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