Pentane, 3-chloro-
- Formula: C5H11Cl
- Molecular weight: 106.594
- IUPAC Standard InChIKey: CXQSCYIVCSCSES-UHFFFAOYSA-N
- CAS Registry Number: 616-20-6
- 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: 1-Ethylpropyl chloride; 3-Chloropentane
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Phase change data
Go To: Top, Reaction thermochemistry data, Henry's Law 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 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 | 370.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 370.65 | K | N/A | Goering and McCarron, 1956 | Uncertainty assigned by TRC = 4. K; TRC |
Tboil | 370.94 | K | N/A | Whitmore and Karnatz, 1938 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 368.05 | K | N/A | Kohlraush and Koppl, 1935 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 168. | K | N/A | Karaseva and Andreevskii, 1969 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 168. | K | N/A | Whitmore and Karnatz, 1938 | Uncertainty assigned by TRC = 2. K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.72 | 304. | A | Stephenson and Malanowski, 1987 | Based on data from 289. to 410. K. See also Dykyj, 1972.; 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° | -0.130 | kcal/mol | Ciso | Roganov, Kabo, et al., 1969 | liquid phase |
ΔrH° | 2.10 ± 0.20 | kcal/mol | Eqk | Karaseva and Andreevskii, 1968 | 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 |
---|---|---|---|
0.038 | V | N/A |
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. | 721. | Morishita, Terashima, et al., 1983 | He; Column length: 45. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 695. | 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. | 880. | Castello and D'Amato, 1986 | He, Chromosorb W AW DMC; Column length: 3. m |
Packed | Carbowax 20M | 125. | 900. | Castello and D'Amato, 1986 | He, Chromosorb W AW DMC; Column length: 3. m |
Packed | Carbowax 20M | 75. | 878. | Castello and D'Amato, 1986 | He, Chromosorb W AW DMC; Column length: 3. m |
Capillary | PEG-20M | 90. | 892. | Morishita, Terashima, et al., 1983 | He; Column length: 75. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Apiezon L | 130. | 721. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 706. | Zenkevich, 1999 | Program: not specified |
Capillary | Polydimethyl siloxanes | 706. | Zenkevich and Chupalov, 1996 | Program: not specified |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas Chromatography, 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]
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]
Kohlraush and Koppl, 1935
Kohlraush, K.W.F.; Koppl, F.,
The Raman effect. XXXVIII. Raman spectra of organic substances. S. Isomeric paraffin derivatives.,
Monatsh. Chem., 1935, 65, 185. [all data]
Karaseva and Andreevskii, 1969
Karaseva, S.Ya.; Andreevskii, D.N.,
Equilibria of Isomerization of secondary Monochloropentanes and Equilibria of Dehydrochlorination of 2-Chloropentane.,
Zh. Fiz. Khim., 1969, 43, 2203. [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]
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]
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, 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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