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9-Octadecenoic acid (Z)-, methyl ester

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Condensed phase thermochemistry data

Go To: Top, 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
Deltafliquid-727.64kJ/molChydRogers and Siddiqui, 1975 
Quantity Value Units Method Reference Comment
Deltacliquid-11832.4 ± 1.5kJ/molCcbFreedman, Bagby, et al., 1989Corresponding «DELTA»fliquid = -789.27 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-11887. ± 12.kJ/molCcbKeffler, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -11871. kJ/mol; See Keffler and McLean, 1935; Corresponding «DELTA»fliquid = -734.46 kJ/mol (simple calculation by NIST; no Washburn corrections)

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

Quantity Value Units Method Reference Comment
Deltavap104. ± 6.kJ/molAVGN/AAverage of 6 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
491.70.027Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
77.2498.GCHusain, Sarma, et al., 1993Based on data from 453. - 543. K.; AC
77.2498.GCHusain, Sarma, et al., 1993Based on data from 453. - 543. K.; AC
86.3406.A,MG,OMStephenson and Malanowski, 1987Based on data from 391. - 459. K. See also Scott, Macmillan, et al., 1952.; AC
83.0443.AStephenson and Malanowski, 1987Based on data from 428. - 486. K. See also Rose and Schrodt, 1964.; AC
84.39293.VScott, Macmillan, et al., 1952ALS
86.7416.MG,OMScott, Macmillan, et al., 1952Based on data from 401. - 458. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
428.72 - 485.225.22522723.181-91.822Rose and Schrodt, 1964Coefficents calculated by NIST from author's data.

Reaction 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

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

9-Octadecenoic acid (Z)-, methyl ester + Hydrogen = Methyl stearate

By formula: C19H36O2 + H2 = C19H38O2

Quantity Value Units Method Reference Comment
Deltar-122.4 ± 1.2kJ/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane

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)

Go To: Top, 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 NIST Mass Spectrometry Data Center
NIST MS number 333597

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References

Go To: Top, 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.

Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A., Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids, J. Phys. Chem., 1975, 79, 574-577. [all data]

Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H., Correlation of heats of combustion with empirical formulas for fatty alcohols, J. Am. Oil Chem. Soc., 1989, 66, 595-596. [all data]

Keffler, 1937
Keffler, L.J.P., Homology and isomerism in long-chain compounds. I. A thermochemical study of the n-alkyl esters derived from the monoethylenic monocarboxylic acids in C18, J. Phys. Chem., 1937, 41, 715-721. [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]

Keffler and McLean, 1935
Keffler, L.; McLean, J.H., Homology in long-chain compounds, I. Oleic acid and the n-alkul oleates, J. Soc. Chem. Ind., 1935, 178-185. [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]

Husain, Sarma, et al., 1993
Husain, Sajid; Sarma, P. Nageswara; Swamy, G.Y.S.K.; Devi, K. Sita, Determination of physicochemical properties of some fatty acid methyl esters by gas liquid chromatography, J Am Oil Chem Soc, 1993, 70, 2, 149-155, https://doi.org/10.1007/BF02542618 . [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]

Scott, Macmillan, et al., 1952
Scott, T.A., Jr.; Macmillan, D.; Melvin, E.H., Vapor pressures and distillation of methyl esters of some fatty acids, Ind. Eng. Chem., 1952, 44, 172-175. [all data]

Rose and Schrodt, 1964
Rose, Arthur.; Schrodt, V.N., Vapor-Liquid Equilibria for the Methyl Oleate and Methyl Stearate Binary System., J. Chem. Eng. Data, 1964, 9, 1, 12-16, https://doi.org/10.1021/je60020a006 . [all data]


Notes

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