Citronellol
- Formula: C10H20O
- Molecular weight: 156.2652
- IUPAC Standard InChIKey: QMVPMAAFGQKVCJ-UHFFFAOYSA-N
- CAS Registry Number: 106-22-9
- 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. - Stereoisomers:
- Other names: 6-Octen-1-ol, 3,7-dimethyl-; β-Citronellol; Cephrol; Rodinol; 3,7-Dimethyl-6-octen-1-ol; Elenol; Rhodinol; 2,6-Dimethyl-2-octen-8-ol; 2,3-Dihydrogeraniol; dl-Citronellol; NSC 8779; R-(+)-β-Citronellol; R-(+)-3,7-Dimethyl-6-octen-1-ol; 1335-43-9; 26489-01-0; 3,7-dimethyl-6-octen-1-ol (citronellol)
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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:
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 |
---|---|---|---|---|---|
Tboil | 495.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 497.55 | K | N/A | Lecat, 1930 | Uncertainty assigned by TRC = 0.4 K; not clear that this is a new measurement; TRC |
Tboil | 497. | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 63.5 | kJ/mol | GC | Hoskovec, Grygarová, et al., 2005 | Based on data from 343. to 453. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
72.6 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 333. K.; AC |
65.9 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 500. 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 |
---|---|---|---|---|---|
339.6 to 494.7 | 5.79249 | 2711.958 | -26.552 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
66.1 | 308. | Serpinskii, Voitkevich, et al., 1954 | Based on data from 283. to 333. K. See also Jones, 1960.; AC |
Mass spectrum (electron ionization)
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
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 | NIST Mass Spectrometry Data Center |
NIST MS number | 352296 |
References
Go To: Top, Phase change data, 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Lecat, 1930
Lecat, M.,
Azeotropism in Binary Mixtures Containing an Alcohol Mixed with an amine, a nitro derivative, an ether or water.,
Z. Anorg. Allg. Chem., 1930, 186, 119. [all data]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 7th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 108-14. [all data]
Hoskovec, Grygarová, et al., 2005
Hoskovec, Michal; Grygarová, Dana; Cvacka, Josef; Streinz, Ludvík; Zima, Jirí; Verevkin, Sergey P.; Koutek, Bohumír,
Determining the vapour pressures of plant volatiles from gas chromatographic retention data,
Journal of Chromatography A, 2005, 1083, 1-2, 161-172, https://doi.org/10.1016/j.chroma.2005.06.006
. [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]
Serpinskii, Voitkevich, et al., 1954
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Y.,
Zh. Fiz. Khim., 1954, 28, 810. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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