Pentane, 2-chloro-
- Formula: C5H11Cl
- Molecular weight: 106.594
- IUPAC Standard InChIKey: NFRKUDYZEVQXTE-UHFFFAOYSA-N
- CAS Registry Number: 625-29-6
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: 1-Methylbutyl chloride; 2-Chloropentane; sec-Amyl 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 368.65 | K | N/A | Goering and McCarron, 1956 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 370.01 | K | N/A | Whitmore and Karnatz, 1938 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 369.85 | K | N/A | Hass, McBee, et al., 1935 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 369.75 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 135. | K | N/A | Whitmore and Karnatz, 1938 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 36.02 | kJ/mol | C | Tekac, Majer, et al., 1981 | ALS |
ΔvapH° | 36.0 | kJ/mol | C | Tekac, Majer, et al., 1981 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
36.2 | 304. | A | Stephenson and Malanowski, 1987 | Based on data from 289. to 409. K. See also Dykyj, 1972.; AC |
35.2 | 313. | C | Tekac, Majer, et al., 1981 | AC |
34.4 | 328. | C | Tekac, Majer, et al., 1981 | AC |
33.5 | 358. | C | Tekac, Majer, et al., 1981 | AC |
31.9 | 368. | C | Tekac, Majer, et al., 1981 | AC |
Reaction 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
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
By formula: C5H11Cl = C5H11Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.544 | kJ/mol | Ciso | Roganov, Kabo, et al., 1969 | liquid phase |
ΔrH° | 8.79 ± 0.84 | kJ/mol | Eqk | Karaseva and Andreevskii, 1968 | gas phase |
By formula: C5H11Cl = C5H10 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.6 | kJ/mol | Eqk | Karaseva and Andreevskii, 1969 | gas phase |
By formula: C5H11Cl = C5H10 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.3 | kJ/mol | Eqk | Karaseva and Andreevskii, 1969 | gas phase |
By formula: C5H11Cl = C5H10 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.3 | kJ/mol | Eqk | Karaseva and Andreevskii, 1969 | gas phase |
Henry's Law 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
0.036 | V | N/A |
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
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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 | CONTINENTAL OIL CO., PONCA CITY, OKLAHOMA, USA |
NIST MS number | 58842 |
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, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Apiezon L | 90. | 712. | Morishita, Terashima, et al., 1983 | He; Column length: 45. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 686. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 869. | Castello and D'Amato, 1986 | He, Chromosorb W AW DMC; Column length: 3. m |
Packed | Carbowax 20M | 125. | 880. | Castello and D'Amato, 1986 | He, Chromosorb W AW DMC; Column length: 3. m |
Packed | Carbowax 20M | 75. | 874. | Castello and D'Amato, 1986 | He, Chromosorb W AW DMC; Column length: 3. m |
Capillary | PEG-20M | 90. | 884. | Morishita, Terashima, et al., 1983 | He; Column length: 75. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 696. | 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. | 712. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 702. | Zenkevich, 1999 | Program: not specified |
Capillary | Polydimethyl siloxanes | 702. | Zenkevich and Chupalov, 1996 | Program: not specified |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Goering and McCarron, 1956
Goering, H.L.; McCarron, F.H.,
J. Am. Chem. Soc., 1956, 78, 2270-4. [all data]
Whitmore and Karnatz, 1938
Whitmore, F.C.; Karnatz, F.A.,
Preparation and properties of 2- and 3-chloropentanes.,
J. Am. Chem. Soc., 1938, 60, 2536. [all data]
Hass, McBee, et al., 1935
Hass, H.B.; McBee, E.T.; Weber, P.,
Ind. Eng. Chem., 1935, 27, 1190. [all data]
Timmermans, 1921
Timmermans, J.,
The Freezing Points of Organic Substances IV. New Exp. Determinations,
Bull. Soc. Chim. Belg., 1921, 30, 62. [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]
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]
Dykyj, 1972
Dykyj, J.,
Petrochemia, 1972, 12, 1, 13. [all data]
Roganov, Kabo, et al., 1969
Roganov, G.N.; Kabo, G.Ya.; Adreevskii, D.N.,
Additivity of thermochemical properties for isomers of secondary n-alkane chlorides (C5-C10),
J. Org. Chem. USSR (Engl. Transl.), 1969, 5, 2037-2041. [all data]
Karaseva and Andreevskii, 1968
Karaseva, S.Ya.; Andreevskii, D.N.,
Equilibrium in pentenes isomerization,
Neftekhimiya, 1968, 8, 504-509. [all data]
Karaseva and Andreevskii, 1969
Karaseva, S.Ya.; Andreevskii, D.N.,
Equilibrium in the isomerisation of secondary monochloropentanes and the dehydrochlorination of 2-chloropentane,
Russ. J. Phys. Chem. (Engl. Transl.), 1969, 43, 1236-1238. [all data]
Morishita, Terashima, et al., 1983
Morishita, F.; Terashima, Y.; Ichise, M.; Kojima, T.,
Prediction of retention indices from molecular structures of chlorinated alkanes,
J. Chromatogr. Sci., 1983, 21, 5, 209-213, https://doi.org/10.1093/chromsci/21.5.209
. [all data]
Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203
. [all data]
Castello and D'Amato, 1986
Castello, G.; D'Amato, G.,
Gas chromatographic separation and identification of linear and branched-chain alkyl chlorides,
J. Chromatogr., 1986, 354, 65-74, https://doi.org/10.1016/S0021-9673(01)87011-4
. [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]
Zenkevich, 1999
Zenkevich, I.G.,
Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different Series,
Zh. Anal. Khim., 1999, 54, 12, 1272-1279. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔrH° Enthalpy of reaction 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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