Acetic acid, chloro-, butyl 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-128.7 ± 0.3kcal/molCcrBjellerup and Smith, 1954At 293 K
Quantity Value Units Method Reference Comment
Δcliquid-817.1 ± 0.3kcal/molCcrBjellerup and Smith, 1954At 293 K
Δcliquid-817.00 ± 0.50kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -814.3 ± 0.5 kcal/mol
Δcliquid-814. ± 0.08kcal/molCcrSmith, Bjellerup, et al., 1953 
Δcliquid-813.7kcal/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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil456.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap9.9kcal/molESchjanberg, 1935ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
360.0.022American Tokyo Kasei, 1988BS

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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 Japan AIST/NIMC Database- Spectrum MS-NW-2174
NIST MS number 228386

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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-30100.1007.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30120.996.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30140.986.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.986.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30100.1014.Haken, Madden, et al., 1983Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-30140.994.Haken, Madden, et al., 1983Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-30180.1000.Haken, Madden, et al., 1983Column length: 25. m; Column diameter: 0.22 mm
CapillaryOV-10180.1001.4Komárek, Hornová, et al., 1982N2; Column 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-351100.1472.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351120.1466.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351140.1500.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.1508.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.1510.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.1534.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1032.Kornilova, Ukolov, et al., 201225. m/0.20 mm/0.33 μm, Helium, 45. C @ 1. min, 5. K/min, 280. C @ 2. min

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.

Bjellerup and Smith, 1954
Bjellerup, L.; Smith, L., Heats of combustion of some organic chloro-compounds, Kgl. Fysiograph. Sallskap. Lund Forh., 1954, 24, 1-13. [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]

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]

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]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Haken and Korhonen, 1986
Haken, J.R.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXIII. Capillary chromatography of monochlorinated C1-C8 n-alkyl acetates, chloracetates, dichloroacetates and trichloroacetates, J. Chromatogr., 1986, 357, 253-271, https://doi.org/10.1016/S0021-9673(01)95828-5 . [all data]

Haken, Madden, et al., 1983
Haken, J.K.; Madden, B.G.; Korhonen, I.O.O., Gas chromatography of homologous esters. XX. Capillary column studies of alkyl acetates, chloroacetates, dichloroacetates and trichloroacetates, J. Chromatogr., 1983, 256, 221-229, https://doi.org/10.1016/S0021-9673(01)88235-2 . [all data]

Komárek, Hornová, et al., 1982
Komárek, K.; Hornová, L.; Churácek, J., Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101, J. Chromatogr., 1982, 244, 1, 142-147, https://doi.org/10.1016/S0021-9673(00)80131-4 . [all data]

Kornilova, Ukolov, et al., 2012
Kornilova, T.A.; Ukolov, A.I.; Kostikov, R.R.; Zenkevich, I.G., Stability of diazocarbonyl compounds under the conditions of gas chromatography and chromatography-mass spectrometry analysis, Rus. J. General Chem., 2012, 82, 10, 1675-1685, https://doi.org/10.1134/S1070363212100088 . [all data]


Notes

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