Dodecane, 1-chloro-
- Formula: C12H25Cl
- Molecular weight: 204.780
- IUPAC Standard InChIKey: YAYNEUUHHLGGAH-UHFFFAOYSA-N
- CAS Registry Number: 112-52-7
- 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-Dodecyl chloride; Dodecyl chloride; Lauryl chloride; 1-Chlorododecane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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°gas | -322.0 ± 2.5 | kJ/mol | Ccr | Stridth and Sunner, 1975 |
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 | -392.3 ± 2.4 | kJ/mol | Ccr | Stridth and Sunner, 1975 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -7926.4 ± 2.4 | kJ/mol | Ccr | Stridth and Sunner, 1975 |
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 | 533.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 72. ± 4. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
399.6 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
62.4 | 404. | A,DTA | Stephenson and Malanowski, 1987 | Based on data from 389. to 519. K. See also Kemme and Kreps, 1969.; 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 |
---|---|---|---|---|
389. to 518.7 | 4.09466 | 1754.079 | -107.518 | Kemme and Kreps, 1969 |
Gas Chromatography
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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
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-20M | 130. | 1661. | Jaworski and Zolna, 1982 | Chromosorb W; Column length: 2.8 m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | PEG-20M | 1664. | Jaworski and Zolna, 1982 | Chromosorb W, 6. K/min; Column length: 2.8 m; Tstart: 110. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 1461. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Apiezon L | 130. | 1469. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-1 | 1446. | Peters, de Leer, et al., 1994 | 25. m/0.2 mm/0.33 μm, He, 50. C @ 5. min, 8. K/min, 300. C @ 10. min |
Capillary | SE-30 | 1432. | Ibrahim and Suffet, 1988 | N2, 50. C @ 8. min, 5. K/min, 275. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | Carbowax 20M-TPA | 1684. | Szymanowski, Kusz, et al., 1989 | Ar, Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 246.6 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stridth and Sunner, 1975
Stridth, G.; Sunner, S.,
Enthalpies of formation of some 1-chloroalkanes and the CH2-increment in the 1-chloroalkanes series,
J. Chem. Thermodyn., 1975, 7, 161-168. [all data]
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]
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]
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]
Jaworski and Zolna, 1982
Jaworski, M.; Zolna, H.,
Oznaczanie alkanów, monochloroalkanów i polichloroalkanów metoda chromatografii gazowej,
Chem. Anal. (Warsaw), 1982, 27, 97-105. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F.,
Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds,
J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121
. [all data]
Peters, de Leer, et al., 1994
Peters, R.J.D.; de Leer, E.W.B.; Versteegh, J.F.M.,
Identification of Halogenated Compounds Produced by Chlorination of Humic Acid in the Presence of Bromide,
J. Chromatogr. A, 1994, 686, 2, 253-261, https://doi.org/10.1016/0021-9673(94)00719-5
. [all data]
Ibrahim and Suffet, 1988
Ibrahim, E.A.; Suffet, I.H.,
Freon FC-113, an Alternative to Methylene Chloride for Liquid-Liquid Extraction of Trace Organics from Chlorinated Drinking Water,
J. Chromatogr., 1988, 454, 217-232, https://doi.org/10.1016/S0021-9673(00)88615-X
. [all data]
Szymanowski, Kusz, et al., 1989
Szymanowski, J.; Kusz, P.; Dziwinski, E.; Szewczyk, H.; Pyzalski, K.,
Degradation and Analysis of Polyoxyethylene Monoalkyl Ethers in the Presence of Acetyl Chloride and Ferric Chloride,
J. Chromatogr., 1989, 469, 197-208, https://doi.org/10.1016/S0021-9673(01)96455-6
. [all data]
Aracil, Font, et al., 2005
Aracil, I.; Font, R.; Conesa, J.A.,
Semivolatile and volatile compounds from the pyrolysis and combustion of polyvinyl chloride,
J. Anal. Appl. Pyrolysis, 2005, 74, 1-2, 465-478, https://doi.org/10.1016/j.jaap.2004.09.008
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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