Pentane, 1,2-dichloro-
- Formula: C5H10Cl2
- Molecular weight: 141.039
- IUPAC Standard InChIKey: PPLBPDUKNRCHGG-UHFFFAOYSA-N
- CAS Registry Number: 1674-33-5
- 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. - Other names: 1,2-Dichloropentane
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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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 421.4 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 420. | K | N/A | Goering and McCarron, 1956 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 421.65 | K | N/A | Tishchenko and Zhokhovits, 1948 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 421.8 | K | N/A | Tishchenko and Shchigel'skaya, 1937 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 419.3 | K | N/A | Koelsch and McElvain, 1929 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 43.9 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 44.4 | kJ/mol | N/A | Basarová and Svoboda, 1991 | Based on data from 330. to 420. K.; AC |
ΔvapH° | 43.8 ± 0.7 | kJ/mol | EB | Pisarev, Rozhnov, et al., 1975 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
36.45 | 421.4 | N/A | Majer and Svoboda, 1985 | |
41.9 | 347. | A | Stephenson and Malanowski, 1987 | Based on data from 332. to 418. K.; AC |
IR Spectrum
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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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Gas Chromatography
Go To: Top, Phase change data, IR Spectrum, 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: 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. | 909. | Morishita, Terashima, et al., 1983 | He; Column length: 45. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 90. | 1218. | 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. | 909. | Arruda, Junkes, et al., 2008 |
References
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Goering and McCarron, 1956
Goering, H.L.; McCarron, F.H.,
J. Am. Chem. Soc., 1956, 78, 2270-4. [all data]
Tishchenko and Zhokhovits, 1948
Tishchenko, D.V.; Zhokhovits, N.,
Chloro Derivatives II. Inductive Effect and Order of Substitution of Hydrogen Atoms eith Chlorine in Chloroalkanes,
Zh. Obshch. Khim., 1948, 18, 43. [all data]
Tishchenko and Shchigel'skaya, 1937
Tishchenko, D.V.; Shchigel'skaya, M.A.,
Zh. Obshch. Khim., 1937, 7, 1246. [all data]
Koelsch and McElvain, 1929
Koelsch, C.F.; McElvain, S.M.,
J. Am. Chem. Soc., 1929, 51, 3390. [all data]
Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav,
Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data,
Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I
. [all data]
Pisarev, Rozhnov, et al., 1975
Pisarev, V.V.; Rozhnov, A.M.; Varushchenko, R.M.; Sarkisov, A.G.,
Russ. J. Phys. Chem., 1975, 49, 1605. [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]
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]
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]
Notes
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling 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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