Hexane, 1-chloro-
- Formula: C6H13Cl
- Molecular weight: 120.620
- IUPAC Standard InChIKey: MLRVZFYXUZQSRU-UHFFFAOYSA-N
- CAS Registry Number: 544-10-5
- 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. - Species with the same structure:
- Other names: n-Hexyl chloride; Hexyl chloride; 1-Chlorohexane; 1-Hexyl chloride
- Information on this page:
- Other data available:
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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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 | 407.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 408.22 | K | N/A | Paul, Krug, et al., 1988 | Uncertainty assigned by TRC = 0.08 K; TRC |
Tboil | 408.1 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 407.45 | K | N/A | Mumford and Phillips, 1950 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 179.15 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 1.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 594.6 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.2 ± 0.1 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.525 | 408.1 | N/A | Majer and Svoboda, 1985 | |
9.82 | 334. | N/A | Cabezas, Barcena, et al., 1988 | Based on data from 319. to 376. K.; AC |
10.4 | 303. | A,DTA | Stephenson and Malanowski, 1987 | Based on data from 288. to 409. K. See also Kemme and Kreps, 1969 and Dykyj, 1972.; AC |
9.68 ± 0.02 | 328. | C | Tekac, Majer, et al., 1981 | AC |
9.56 ± 0.02 | 343. | C | Tekac, Majer, et al., 1981 | AC |
9.32 ± 0.02 | 358. | C | Tekac, Majer, et al., 1981 | AC |
9.18 ± 0.02 | 368. | C | Tekac, Majer, et al., 1981 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 368. | 14.35 | 0.2824 | 594.6 | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|
288. to 408.8 | 3.88805 | 1304.968 | -73.092 | Kemme and Kreps, 1969 |
Gas phase ion energetics 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: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
10.31 | EST | Luo and Pacey, 1992 |
10.28 ± 0.05 | EI | Holmes and Lossing, 1991 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
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]
Paul, Krug, et al., 1988
Paul, H.-I.; Krug, J.; Knapp, H.,
Measurements of VLE, vE, and hE for binary mixtures of 1-chlorohexane with three n-alkylbenzenes: toluene, ethylbenzene, n-propylbenzene,
J. Chem. Eng. Data, 1988, 33, 453. [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]
Mumford and Phillips, 1950
Mumford, S.A.; Phillips, J.W.C.,
19. The Physical Properties of Some Aliphatic Compounds,
J. Chem. Soc., 1950, 1950, 75-84. [all data]
Timmermans, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]
Cabezas, Barcena, et al., 1988
Cabezas, Jose L.; Barcena, Lucas A.; Coca, Jose; Cockrem, Michael,
Extraction of furfural from aqueous solutions using alcohols,
J. Chem. Eng. Data, 1988, 33, 4, 435-437, https://doi.org/10.1021/je00054a014
. [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]
Dykyj, 1972
Dykyj, J.,
Petrochemia, 1972, 12, 1, 13. [all data]
Tekac, Majer, et al., 1981
Tekac, V.; Majer, V.; Svoboda, V.; Hynek, V.,
Enthalpies of vaporization and cohesive energies for six monochlorinated alkanes,
J. Chem. Thermodyn., 1981, 13, 659-662. [all data]
Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D.,
Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes,
Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) 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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