Formic acid, heptyl ester
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3
- IUPAC Standard InChIKey: XEAMDSXSXYAICO-UHFFFAOYSA-N
- CAS Registry Number: 112-23-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: n-Heptyl formate; Heptyl alcohol, formate; Heptyl formate; Heptanol, formate; n-Heptyl methanoate
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Phase change data
Go To: Top, 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 471. | K | N/A | Nayanov, Zorin, et al., 1976 | Uncertainty assigned by TRC = 3. K |
| Tboil | 451.27 | K | N/A | Bilterys and Gisseleire, 1935 | Uncertainty assigned by TRC = 0.3 K |
| Tboil | 449.9 | K | N/A | Gartenmeister, 1886 | Uncertainty assigned by TRC = 1.5 K |
Gas Chromatography
Go To: Top, Phase change data, 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1039. | Zaikin, 2010 | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1012. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1357. | Galindo-Cuspinera, Lubran, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nayanov, Zorin, et al., 1976
Nayanov, V.P.; Zorin, V.V.; Zlotskii, S.S.; Rakhmankulov, D.L.,
Identification of Cyclic Acetates and Isomeric Esters by Gas-Liquid Chromatography,
Zh. Prikl. Khim. (Leningrad), 1976, 49, 2350. [all data]
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, 1886
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]
Zaikin, 2010
Zaikin, V.G.,
Personal communication: Retention indices measured during 2010, 2010. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A.,
Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts,
J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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