Cyclopentane, chloro-
- Formula: C5H9Cl
- Molecular weight: 104.578
- IUPAC Standard InChIKey: NDTCXABJQNJPCF-UHFFFAOYSA-N
- CAS Registry Number: 930-28-9
- 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: Chlorocyclopentane; Cyclopentyl chloride
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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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 238.04 | J/mol*K | N/A | Diky, Kabo, et al., 1993 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
152.40 | 298.15 | Diky, Kabo, et al., 1993 | T = 6 to 301 K. |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 387.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 387.35 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 178.85 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 180.0 | K | N/A | Diky, Kabo, et al., 1993, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 38.79 ± 0.40 | kJ/mol | C | Diky, Kabo, et al., 1993 | ALS |
ΔvapH° | 38.8 | kJ/mol | C | Diky, Kabo, et al., 1993 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.790 | 298.15 | N/A | Diky, Kabo, et al., 1993 | DH |
37.4 | 337. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 322. to 387. K. See also Andreevskii and Brazhnikov, 1970.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
130.1 | 298.15 | Diky, Kabo, et al., 1993 | DH |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.64 | 180. | Diky, Kabo, et al., 1993 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.05 | 169.4 | Diky, Kabo, et al., 1993, 3 | CAL |
3.54 | 180. |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.6306 | 169.35 | crystaline, II | crystaline, I | Diky, Kabo, et al., 1993 | DH |
0.6373 | 180.0 | crystaline, I | liquid | Diky, Kabo, et al., 1993 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
45.06 | 169.35 | crystaline, II | crystaline, I | Diky, Kabo, et al., 1993 | DH |
3.54 | 180.0 | crystaline, I | liquid | Diky, Kabo, et al., 1993 | DH |
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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H8+ | 10.53 | HCl | EI | Lorquet-Julien, 1961 |
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 | Chemical Concepts |
NIST MS number | 162105 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 762. | 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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 760. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 804. | N/A | Program: not specified |
Capillary | Methyl Silicone | 758. | Zenkevich, 1998 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
Diky, Kabo, et al., 1993
Diky, V.V.; Kabo, G.J.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M.,
Thermodynamic properties and pseudorotation of chlorocyclopentane,
J. Chem. Thermodyn., 1993, 25, 1169-1181. [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]
Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M.,
Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds,
J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [all data]
Diky, Kabo, et al., 1993, 2
Diky, V.V.; Kabo, G.Ya.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M.,
Thermodynamic Properties and Pseudorotation of Chlorocyclopentane,
J. Chem. Thermodyn., 1993, 25, 1169-81. [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]
Andreevskii and Brazhnikov, 1970
Andreevskii, D.N.; Brazhnikov, M.M.,
Vestn. Beloruss. Univ., 1970, 2, 3, 14. [all data]
Diky, Kabo, et al., 1993, 3
Diky, V.V.; Kabo, G.J.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M.,
Thermodynamic properties and pseudorotation of chlorocyclopentane,
J. Chem. Thermodyn., 1993, 25, 10, 1169, https://doi.org/10.1006/jcht.1993.1114
. [all data]
Lorquet-Julien, 1961
Lorquet-Julien, J.C.,
Comportement du 1 fluoro- et du 1 chloropentane normal et des derives halogenescorrespondants du cyclopentane sous l'impact electronique,
Bull. Soc. Roy. Sci. Liege, 1961, 30, 170. [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]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Zenkevich, 1998
Zenkevich, I.G.,
Reciprocally Unambiguous Conformity Between GC Retention Indices and Boiling Points within Two- and Multidimensional Taxonomic Groups of Organic Compounds,
J. Hi. Res. Chromatogr., 1998, 21, 10, 565-568, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<565::AID-JHRC565>3.0.CO;2-6
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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