Propanoic acid, 3-chloro-, ethyl ester


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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcliquid-658. ± 1.kcal/molCcbSmith, Bjellerup, et al., 1953 
Δcliquid-657.2kcal/molCcbSchjanberg, 1935 

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
Tboil435.2KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
13.4331.AStephenson and Malanowski, 1987Based on data from 316. to 358. 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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IR 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 Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Due to licensing restrictions, this spectrum cannot be downloaded.

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-5479
NIST MS number 235224

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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-30100.902.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30120.897.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.880.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.904.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.910.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillaryOV-101100.901.Horna, Táborský, et al., 1985N2; Column length: 19. m; Column diameter: 0.28 mm
CapillaryOV-10180.900.Komárek, Hornová, et al., 1983Column length: 15. m; Column diameter: 0.22 mm
PackedE-301170.894.Shashkova, Znamenskaia, et al., 1969He, Celite 545 (0.20-0.50 mm); Column length: 2. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351100.1388.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351140.1400.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.1407.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.1397.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.1412.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.1378.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillarySP-1000100.1372.Horna, Táborský, et al., 1985N2; Column length: 46. m; Column diameter: 0.23 mm
PackedPolyethylene Glycol170.1421.Shashkova, Znamenskaia, et al., 1969He, Celite 545 (0.20-0.50 mm); Column length: 2. m

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]

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]

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]

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]

Shashkova, Znamenskaia, et al., 1969
Shashkova, A.A.; Znamenskaia, A.P.; Pas'ko, L.Ya., Investigation of esters of odd series halohenated acids with Kovats indices, Gazovaya Khromatografiya, 1969, 9, 40-47. [all data]


Notes

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