Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Propanoic acid, 1-methylpropyl ester

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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
Deltacliquid-4185.3kJ/molCcbSchjanberg, 1935Corresponding «DELTA»fliquid = -570.3 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil406.2KN/AWeast and Grasselli, 1989 

Mass spectrum (electron ionization)

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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.
NIST MS number 2869

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

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.829.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30120.825.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30140.845.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3060.845.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.838.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
PackedSE-30100.832.Chastrette, Heintz, et al., 1974N2, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSE-30100.847.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351100.1092.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35160.1067.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.1070.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
PackedCarbowax 20M100.1048.Chastrette, Heintz, et al., 1974Chromosorb WAW (60-80 mesh); Column length: 3. m
PackedCarbowax 20M100.1065.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5889.Isidorov, Zenkevich, et al., 2001He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C

References

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

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

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]

Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O., Gas-liquid chromatography of homologous esters. XXIX. Propanoyl and monochlorpropanoyl esters of lower saturated branched-chain and unsaturated alcohols, J. Chromatogr., 1985, 324, 343-353, https://doi.org/10.1016/S0021-9673(01)81333-9 . [all data]

Chastrette, Heintz, et al., 1974
Chastrette, M.; Heintz, M.; Druilhe, A.; Lefort, D., Analyse chromatographique d'esters aliphatiques saturés. Relations rétention-structure et prévision de la rétention, Bull. Soc. Chim. Fr., 1974, 9/10,Pt.1, 1852-1856. [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Isidorov, Zenkevich, et al., 2001
Isidorov, V.A.; Zenkevich, I.G.; Krajewska, U.; Dubis, E.N.; Jaroszynska, J.; Bal, K., Gas chromatographic analysis of essential oils with preliminary partition of components, Phytochem. Anal., 2001, 12, 2, 87-90, https://doi.org/10.1002/pca.564 . [all data]


Notes

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