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n-Propyl chloride

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-31.67 ± 0.22kcal/molCcbFletcher and Pilcher, 1971 
Deltafgas-31.35 ± 0.20kcal/molChydDavies, Lacher, et al., 1965Reanalyzed by Cox and Pilcher, 1970, Original value = -30.94 kcal/mol
Deltafgas-31.66kcal/molEqkKabo and Andreevskii, 1965Correction by Andreevskii, 1972
Quantity Value Units Method Reference Comment
Deltacgas-495.25 ± 0.19kcal/molCcbFletcher and Pilcher, 1971 

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltacliquid-484. ± 2.kcal/molCcbSmith, Bjellerup, et al., 1953ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
31.19297.Eucken, 1948T = 200 to 297 K. (4 pts). from unpublished measurements of A. Landsberg.; DH
31.60298.Kurbatov, 1948T = -39 to 43°C, mean Cp, two temperatures.; DH
31.41298.von Reis, 1881T = 288 to 333 K.; DH

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil320. ± 1.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus150.2KN/AVan de Vloed, 1939Uncertainty assigned by TRC = 0.7 K; TRC
Quantity Value Units Method Reference Comment
Tc503.2KN/ABerthoud, 1917Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Pc45.1800atmN/ABerthoud, 1917Uncertainty assigned by TRC = 0.5000 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap6.826kcal/molN/AMajer and Svoboda, 1985 
Deltavap6.93kcal/molN/ABoublik, Fried, et al., 1984Based on data from 250. - 320. K. See also Basarová and Svoboda, 1991.; AC
Deltavap6.812 ± 0.050kcal/molCMansson, Sellers, et al., 1977ALS
Deltavap6.81 ± 0.05kcal/molCMånsson, Sellers, et al., 1977AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
6.496319.6N/AMajer and Svoboda, 1985 
7.41263.AStephenson and Malanowski, 1987Based on data from 248. - 320. K. See also Kemme and Kreps, 1969 and Dykyj, 1970.; AC
7.91219.N/AStull, 1947Based on data from 205. - 319. K.; AC
6.90 ± 0.20318.7VMathews and Fehlandt, 1931Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 6.62 kcal/mol; ALS

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
204.9 - 319.64.126831155.007-39.991Stull, 1947Coefficents calculated by NIST from author's data.

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
ALS - 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

Bromine anion + n-Propyl chloride = (Bromine anion bullet n-Propyl chloride)

By formula: Br- + C3H7Cl = (Br- bullet C3H7Cl)

Quantity Value Units Method Reference Comment
Deltar12.1 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.96 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B

n-Propyl chloride = Propane, 2-chloro-

By formula: C3H7Cl = C3H7Cl

Quantity Value Units Method Reference Comment
Deltar-3.0 ± 0.2kcal/molEqkKabo and Andreevskii, 1965gas phase; Correction by Andreevskii, 1972; ALS

Hydrogen + n-Propyl chloride = Propane + Hydrogen chloride

By formula: H2 + C3H7Cl = C3H8 + HCl

Quantity Value Units Method Reference Comment
Deltar-15.73 ± 0.16kcal/molChydDavies, Lacher, et al., 1965gas phase; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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

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 Japan AIST/NIMC Database- Spectrum MS-NW- 944
NIST MS number 229843

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Fletcher and Pilcher, 1971
Fletcher, R.A.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 7.-Chloromethane, chloroethane, 1-chloropropane, 2-chloropropane, Trans. Faraday Soc., 1971, 67, 3191-3201. [all data]

Davies, Lacher, et al., 1965
Davies, J.; Lacher, J.R.; Park, J.D., Reaction heats of organic compounds. Part 4.-Heats of hydrogenation of n- and iso-Propyl bromides and chlorides, Trans. Faraday Soc., 1965, 61, 2413-2416. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Kabo and Andreevskii, 1965
Kabo, G. Ya; Andreevskii, D.N., Thermodynamics of monochloropropane isomerization, Neftekhimiya, 1965, 5, 132-135. [all data]

Andreevskii, 1972
Andreevskii, D.N., Thermochemistry of organic halogeno-compounds, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 819-820. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Eucken, 1948
Eucken, A., Assoziation in Flüssigkeiten, Z. Elektrochem., 1948, 52, 255-269. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Van de Vloed, 1939
Van de Vloed, A., Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]

Berthoud, 1917
Berthoud, A., Determination of Critical Temperatures and Pressures of Amines and Alkyl Chlorides, J. Chim. Phys. Phys.-Chim. Biol., 1917, 15, 3. [all data]

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]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [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]

Mansson, Sellers, et al., 1977
Mansson, M.; Sellers, P.; Stridh, G.; Sunner, S., Enthalpies of vaporization of some 1-substituted n-alkanes, J. Chem. Thermodyn., 1977, 9, 91. [all data]

Månsson, Sellers, et al., 1977
Månsson, M.; Sellers, P.; Stridh, G.; Sunner, S., Enthalpies of vaporization of some 1-substituted n-alkanes, The Journal of Chemical Thermodynamics, 1977, 9, 1, 91-97, https://doi.org/10.1016/0021-9614(77)90202-6 . [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]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Mathews and Fehlandt, 1931
Mathews, J.H.; Fehlandt, P.R., The heats of vaporization of some organic compounds, J. Am. Chem. Soc., 1931, 53, 3212-32. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References