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Pentane, 2-chloro-

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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
Tboil368.65KN/AGoering and McCarron, 1956Uncertainty assigned by TRC = 2. K; TRC
Tboil370.01KN/AWhitmore and Karnatz, 1938Uncertainty assigned by TRC = 0.3 K; TRC
Tboil369.85KN/AHass, McBee, et al., 1935Uncertainty assigned by TRC = 0.3 K; TRC
Tboil369.75KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tfus135.KN/AWhitmore and Karnatz, 1938Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Deltavap8.609kcal/molCTekac, Majer, et al., 1981ALS
Deltavap8.60kcal/molCTekac, Majer, et al., 1981AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.65304.AStephenson and Malanowski, 1987Based on data from 289. - 409. K. See also Dykyj, 1972.; AC
8.41313.CTekac, Majer, et al., 1981AC
8.22328.CTekac, Majer, et al., 1981AC
8.01358.CTekac, Majer, et al., 1981AC
7.62368.CTekac, Majer, et al., 1981AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Pentane, 2-chloro- = Pentane, 3-chloro-

By formula: C5H11Cl = C5H11Cl

Quantity Value Units Method Reference Comment
Deltar-0.130kcal/molCisoRoganov, Kabo, et al., 1969liquid phase
Deltar2.10 ± 0.20kcal/molEqkKaraseva and Andreevskii, 1968gas phase

Pentane, 2-chloro- = 1-Pentene + Hydrogen chloride

By formula: C5H11Cl = C5H10 + HCl

Quantity Value Units Method Reference Comment
Deltar17.6kcal/molEqkKaraseva and Andreevskii, 1969gas phase

Pentane, 2-chloro- = 2-Pentene, (E)- + Hydrogen chloride

By formula: C5H11Cl = C5H10 + HCl

Quantity Value Units Method Reference Comment
Deltar14.9kcal/molEqkKaraseva and Andreevskii, 1969gas phase

Pentane, 2-chloro- = 2-Pentene, (Z)- + Hydrogen chloride

By formula: C5H11Cl = C5H10 + HCl

Quantity Value Units Method Reference Comment
Deltar15.6kcal/molEqkKaraseva and Andreevskii, 1969gas 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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
0.036 VN/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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Mass 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

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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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L90.712.Morishita, Terashima, et al., 1983He; Column length: 45. m; Column diameter: 0.25 mm
PackedSqualane67.686.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M100.869.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
PackedCarbowax 20M125.880.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
PackedCarbowax 20M75.874.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
CapillaryPEG-20M90.884.Morishita, Terashima, et al., 1983He; Column length: 75. m; Column diameter: 0.25 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH696.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L130.712.Arruda, Junkes, et al., 2008 

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone702.Zenkevich, 1999Program: not specified
CapillaryPolydimethyl siloxanes702.Zenkevich and Chupalov, 1996Program: not specified

References

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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, NIST Free Links, References