Hexadecane, 1-chloro-
- Formula: C16H33Cl
- Molecular weight: 260.886
- IUPAC Standard InChI: InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
- IUPAC Standard InChIKey: CLWAXFZCVYJLLM-UHFFFAOYSA-N
- CAS Registry Number: 4860-03-1
- 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: Cetyl chloride; Hexadecyl chloride; 1-Chlorohexadecane; n-Hexadecyl chloride; Palmityl chloride
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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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 595.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 91.8 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 97.9 | kJ/mol | N/A | Bolotnikov and Neruchev, 2006 | AC |
| ΔvapH° | 96.4 ± 0.9 | kJ/mol | GS | Puri, Chickos, et al., 2001 | AC |
| ΔvapH° | 91.8 ± 1.1 | kJ/mol | V | Mansson, Sellers, et al., 1977 | ALS |
| ΔvapH° | 91.8 ± 1.1 | kJ/mol | C | Månsson, Sellers, et al., 1977 | AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 422.2 | 0.001 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 73.3 | 454. | DTA | Kemme and Kreps, 1969 | Based on data from 439. to 600. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference |
|---|---|---|---|---|
| 438.8 to 599.9 | 4.12599 | 1924.969 | -132.809 | Kemme and Kreps, 1969 |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Bolotnikov and Neruchev, 2006
Bolotnikov, M.F.; Neruchev, Yu.A.,
The enthalpies of vaporization and intermolecular interaction energies of 1-chloroalkanes,
Russ. J. Phys. Chem., 2006, 80, 8, 1191-1197, https://doi.org/10.1134/S0036024406080024
. [all data]
Puri, Chickos, et al., 2001
Puri, Swati; Chickos, James S.; Welsh, William J.,
Determination of Vaporization Enthalpies of Polychlorinated Biphenyls by Correlation Gas Chromatography,
Anal. Chem., 2001, 73, 7, 1480-1484, https://doi.org/10.1021/ac001246p
. [all data]
Mansson, Sellers, et al., 1977
Mansson, M.; Sellers, P.; Stridh, G.; Sunner, S.,
Enthalpies of vaporization of some 1-substituted n-alkanes,
J. Chem. Thermodyn., 1977, 9, 91. [all data]
Månsson, Sellers, et al., 1977
Månsson, M.; Sellers, P.; Stridh, G.; Sunner, S.,
Enthalpies of vaporization of some 1-substituted n-alkanes,
The Journal of Chemical Thermodynamics, 1977, 9, 1, 91-97, https://doi.org/10.1016/0021-9614(77)90202-6
. [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]
Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I.,
Vapor pressure of primary n-alkyl chlorides and alcohols,
J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point 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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