6-Octen-1-ol, 3,7-dimethyl-, acetate
- Formula: C12H22O2
- Molecular weight: 198.3019
- IUPAC Standard InChI: InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
- IUPAC Standard InChIKey: JOZKFWLRHCDGJA-UHFFFAOYSA-N
- CAS Registry Number: 150-84-5
- 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: Citronellol acetate; Citronellyl acetate; Natural rhodinol, acetylated; 3,7-Dimethyl-6-octenyl acetate; β-Citronellyl acetate; Acetic acid, citronellyl ester; Acetic acid, 3,7-dimethyl-6-octen-1-yl ester; 1-Acetoxy-3,7-dimethyloct-6-ene; 2-Octen-8-ol, 2,6-dimethyl-, acetate; 3,7-Dimethyl-6-octen-1-yl acetate; Cephreine; β-Citronellol, acetate; CitronellyI acetate; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate; NSC 4893; Cytronellyl acetate; Acetic acid, rhodinyl ester
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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:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 16.4 | 362. | A | Stephenson and Malanowski, 1987 | Based on data from 347. to 490. 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 |
|---|---|---|---|---|---|
| 347.8 to 490. | 6.29913 | 2855.761 | -36.775 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY
4, 4 cm-1 resolution
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Notes
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- Symbols used in this document:
ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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