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Pentane, 3-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:
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
Tboil370.7KN/AWeast and Grasselli, 1989BS
Tboil370.65KN/AGoering and McCarron, 1956Uncertainty assigned by TRC = 4. K; TRC
Tboil370.94KN/AWhitmore and Karnatz, 1938Uncertainty assigned by TRC = 0.3 K; TRC
Tboil368.05KN/AKohlraush and Koppl, 1935Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus168.KN/AKaraseva and Andreevskii, 1969Uncertainty assigned by TRC = 2. K; TRC
Tfus168.KN/AWhitmore and Karnatz, 1938Uncertainty assigned by TRC = 2. K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.72304.AStephenson and Malanowski, 1987Based on data from 289. - 410. K. See also Dykyj, 1972.; AC

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

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
0.038 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 58843

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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 L90.721.Morishita, Terashima, et al., 1983He; Column length: 45. m; Column diameter: 0.25 mm
PackedSqualane67.695.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 20M100.880.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
PackedCarbowax 20M125.900.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
PackedCarbowax 20M75.878.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
CapillaryPEG-20M90.892.Morishita, Terashima, et al., 1983He; Column length: 75. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L130.721.Arruda, Junkes, et al., 2008 

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone706.Zenkevich, 1999Program: not specified
CapillaryPolydimethyl siloxanes706.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.

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

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