D-Fenchone
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChIKey: LHXDLQBQYFFVNW-UHFFFAOYSA-N
- CAS Registry Number: 4695-62-9
- 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. - Species with the same structure:
- Other names: Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1S)-; Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S,4R)-; (+)-Fenchone; D-(+)-Fenchone; 2-Norbornanone, 1,3,3-trimethyl-, (+)-; 2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)-; 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one, (1S)-; d-1,3,3-Trimethyl-2-norbornanone; d-1,3,3-Trimethyl-2-norcamphanone; (S)-Fenchone; (1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one; Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-
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Phase change data
Go To: Top, IR Spectrum, 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 | 466.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 466.35 | K | N/A | Kobe, Okabe, et al., 1941 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 51.7 ± 0.1 | kJ/mol | C | Atik, Saito, et al., 1987 | AC |
ΔvapH° | 51.4 ± 0.1 | kJ/mol | C | Atik, Saito, et al., 1987 | AC |
ΔvapH° | 51.1 ± 0.1 | kJ/mol | C | Kusano, 1985 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
47.0 | 374. | N/A | Batiu, 2002 | Based on data from 365. to 384. K.; AC |
48.9 | 316. | A | Stephenson and Malanowski, 1987 | Based on data from 301. to 464. K. See also Stull, 1947.; 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 |
---|---|---|---|---|---|
301. to 464. | 4.76003 | 2055.813 | -31.729 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
IR Spectrum
Go To: Top, Phase change data, 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 by: Coblentz Society, Inc.
Gas Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | PERKIN-ELMER CORP. (M. ZELLER) |
Source reference | COBLENTZ NO. 10559 |
Date | 1977/07/14 |
Name(s) | d-BICYCLO(2.2.1)HEPT-2-ONE, 1,3,3-TRIMETHYL- |
State | VAPOR (13 MICROLITER AT 150 C) |
Instrument | PERKIN-ELMER 180 |
Path length | 5 CM KBr CELL, CELL VOLUME: 80 CM3 |
Resolution | 2-3 CM-1 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Boiling point | 193 C |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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 | Chemical Concepts |
NIST MS number | 157815 |
References
Go To: Top, Phase change 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.
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]
Kobe, Okabe, et al., 1941
Kobe, K.A.; Okabe, T.S.; Ramstad, M.T.; Huemmer, P.M.,
p-Cymene Studies. VI. Vapor Pressure of p-Cymene, Some of its Derivatives and Related Compounds,
J. Am. Chem. Soc., 1941, 63, 3251. [all data]
Atik, Saito, et al., 1987
Atik, Zadjia; Saito, Yoshihiro; Kusano, Kazuhito,
Thermodynamic properties of liquid enantiomers I. Enthalpies of vaporization of fenchones, α-methylbenzylamines, and limonenes at 298.15 K,
The Journal of Chemical Thermodynamics, 1987, 19, 1, 99-102, https://doi.org/10.1016/0021-9614(87)90167-4
. [all data]
Kusano, 1985
Kusano, Kazuhito,
Micro conduction calorimeters to measure enthalpies of vaporization,
Thermochimica Acta, 1985, 88, 1, 109-120, https://doi.org/10.1016/0040-6031(85)85418-6
. [all data]
Batiu, 2002
Batiu, I.,
Vapor--liquid equilibria in the binary systems n-decane+(-)-menthone and n-decane+(+)-fenchone at temperatures between 344.45 and 390.75 K,
Fluid Phase Equilibria, 2002, 198, 1, 111-121, https://doi.org/10.1016/S0378-3812(01)00759-2
. [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]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point 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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