- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: IDHBLVYDNJDWNO-UHFFFAOYSA-N
- CAS Registry Number: 624-13-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Octanoic acid, propyl ester; n-Propyl n-octanoate; n-propyl octanoate; Propyl caprylate
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Phase change data
Go To: Top, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
|Tboil||499.58||K||N/A||Bilterys and Gisseleire, 1935||Uncertainty assigned by TRC = 0.3 K; TRC|
|Tboil||497.9||K||N/A||Gartenmeister, 1886||Uncertainty assigned by TRC = 2. K; TRC|
|Tfus||228.2||K||N/A||Hoback, Parsons, et al., 1943||Uncertainty assigned by TRC = 0.8 K; TRC|
|Tfus||227.0||K||N/A||Bilterys and Gisseleire, 1935||Uncertainty assigned by TRC = 0.5 K; TRC|
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Method||Reference||Comment|
|58.8||358.||A||Stephenson and Malanowski, 1987||Based on data from 343. - 500. K.; AC|
|58.2||358.||N/A||Bonhorst, Althouse, et al., 1948||Based on data from 343. - 426. K. See also Boublik, Fried, et al., 1984.; AC|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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||V.G.Zaikin, Petrochem. Synth. Inst., Moscow|
|NIST MS number||280554|
Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes
Bilterys and Gisseleire, 1935
Bilterys, R.; Gisseleire, J., Investigations on the Congelation Temperature of Organic Compounds, Bull. Soc. Chim. Belg., 1935, 44, 567. [all data]
Gartenmeister, R., Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters, Justus Liebigs Ann. Chem., 1886, 233, 249-315. [all data]
Hoback, Parsons, et al., 1943
Hoback, J.H.; Parsons, D.O.; Bartlett, J.F., Some esters of normal aliphatic alcohols and acids, J. Am. Chem. Soc., 1943, 65, 1606-7. [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]
Bonhorst, Althouse, et al., 1948
Bonhorst, Carl W.; Althouse, Paul M.; Triebold, Howard O., Esters of Naturally Occurring Fatty Acids - Physical Properties of Methyl, Propyl, and Isopropyl Esters of C 6 to C 18 Saturated Fatty Acids, Ind. Eng. Chem., 1948, 40, 12, 2379-2384, https://doi.org/10.1021/ie50468a031 . [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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