9-Octadecenoic acid, (E)-
- Formula: C18H34O2
- Molecular weight: 282.4614
- IUPAC Standard InChIKey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N
- CAS Registry Number: 112-79-8
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: trans-δ9-Octadecenoic acid; trans-Octadec-9-enoic acid; trans-Oleic acid; trans-9-Octadecenoic acid; Elaidic acid; (E)-9-Octadecenoic acid; (E)-Palmitoleic acid; trans-Elaidic acid; (E)-Palmitelaidic acid; trans-.delta.(sup 9)-Octadecenoic acid
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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 |
---|---|---|---|---|---|
ΔfH°liquid | -183.8 | kcal/mol | Chyd | Rogers, Hoyte, et al., 1978 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2638.73 | kcal/mol | Ccb | Keffler, 1930 | At 293 °K; Corresponding ΔfHºsolid = -215.55 kcal/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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 316.95 | K | N/A | Mod, Magne, et al., 1960 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 317.15 | K | N/A | Shreve, Heether, et al., 1950 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 320. | K | N/A | Tammann, 1913 | Uncertainty assigned by TRC = 1. K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
561.2 | 0.132 | Weast and Grasselli, 1989 | BS |
507.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
19.7 | 459. | A | Stephenson and Malanowski, 1987 | Based on data from 444. to 635. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
444.5 to 635. | 6.96102 | 4531.994 | 15.886 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.71 | 317.6 | Domalski and Hearing, 1996 | AC |
6.460 | 371.2 | Alvik, Borgen, et al., 1972 | AC |
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
By formula: C18H34O2 + H2 = C18H36O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.73 ± 0.48 | kcal/mol | Chyd | Rogers, Hoyte, et al., 1978 | liquid phase; solvent: Hexane |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
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
View image of digitized spectrum (can be printed in landscape orientation).
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- 268 |
NIST MS number | 228206 |
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, Hoyte, et al., 1978
Rogers, D.W.; Hoyte, O.P.A.; Ho, R.K.C.,
Heats of hydrogenation of large molecules. Part 2. Six unsaturated and polyunsaturated fatty acids,
J. Chem. Soc. Faraday Trans. 1, 1978, 74, 46-52. [all data]
Keffler, 1930
Keffler, L.J.P.,
Calorimetric researches on geometrical isomerism. Part I. Preliminary studies on oleic and elaidic acids and esters from a comparison of their heats of combustion,
J. Phys. Chem., 1930, 34, 1319-1325. [all data]
Mod, Magne, et al., 1960
Mod, R.R.; Magne, F.C.; Skau, E.L.,
Pure Acid-Free Amides of C18 Fatty Acids. Their Preparation and Binary Freezing Point Behavior,
J. Chem. Eng. Data, 1960, 5, 478. [all data]
Shreve, Heether, et al., 1950
Shreve, O.D.; Heether, M.R.; Knight, H.B.; Swern,
Anal. Chem., 1950, 22, 1498. [all data]
Tammann, 1913
Tammann, G.,
Nachr. Ges. Wiss. Goettingen, Math.-Phys. Kl., 1913, 1913, 335. [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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Alvik, Borgen, et al., 1972
Alvik, Thor; Borgen, Gerd; Dale, Johannes; Øye, H.A.; Svensson, Sigfrid,
Conformational Studies of Normal, Medium, and Large Ring Diametric Cycloalkanediones and Their Ethylene Ketal Derivatives.,
Acta Chem. Scand., 1972, 26, 1805-1816, https://doi.org/10.3891/acta.chem.scand.26-1805
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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