Propanoic acid, 2-chloro-, ethyl ester

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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 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
Δcliquid-660.10 ± 0.50kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -655. ± 1. kcal/mol; ALS
Δcliquid-654.2kcal/molCcbSchjanberg, 1935ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
52.70298.von Reis, 1881T = 291 to 431 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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil420.7KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.1294.AStephenson and Malanowski, 1987Based on data from 279. to 420. K. See also Stull, 1947.; AC

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 Chuck Anderson, Aldrich Chemical Co.
NIST MS number 107390

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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
CapillarySE-30100.841.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30120.832.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.851.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillaryOV-101100.848.Horna, Táborský, et al., 1985N2; Column length: 19. m; Column diameter: 0.28 mm
CapillaryOV-10180.838.Komárek, Hornová, et al., 1983Column length: 15. m; Column diameter: 0.22 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351100.1250.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351120.1229.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351140.1254.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.1288.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.1290.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.1232.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillarySP-1000100.1226.Horna, Táborský, et al., 1985N2; Column length: 46. m; Column diameter: 0.23 mm

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS857.Tretyakov, 201130. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

References

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

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]

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

Schjanberg, 1935
Schjanberg, E., Die Verbrennungswarmen und die Refraktionsdaten einiger chlorsubstituierter Fettsauren und Ester., Z. Phys. Chem. Abt. A, 1935, 172, 197-233. [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]

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]

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]

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]

Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 319, 131-142, https://doi.org/10.1016/S0021-9673(01)90548-5 . [all data]

Horna, Táborský, et al., 1985
Horna, A.; Táborský, J.; Churácek, J.; Dufka, O., Chromatography of monomers. IV. Gas-liquid chromatographic studies of C1-C6 n-alkyl and C3-C6 isoalkyl acrylates and their hydrogen halide and halogen addition derivatives, J. Chromatogr., 1985, 348, 141-149, https://doi.org/10.1016/S0021-9673(01)92447-1 . [all data]

Komárek, Hornová, et al., 1983
Komárek, K.; Hornová, L.; Horna, A.; Churácek, J., Glass capillary gas chromatography of homologous series of esters. III. Separation of alkyl halogenopropionates and halogenobutyrates on OV-101, J. Chromatogr., 1983, 262, 316-320, https://doi.org/10.1016/S0021-9673(01)88112-7 . [all data]

Tretyakov, 2011
Tretyakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]


Notes

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