1-Phenylcyclohexanol
- Formula: C12H16O
- Molecular weight: 176.2548
- IUPAC Standard InChIKey: DTTDXHDYTWQDCS-UHFFFAOYSA-N
- CAS Registry Number: 1589-60-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Cyclohexanol, 1-phenyl-; 1-Phenyl-1-cyclohexanol; 1-Phenylcyclohexanol-1; Benzene, cyclohex-1-yl-1-ol-
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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 333. | K | N/A | Nenitzescu and Necsoiu, 1950 | Uncertainty assigned by TRC = 4. K |
| Tfus | 333. | K | N/A | Signaigo and Cramer, 1933 | Uncertainty assigned by TRC = 3. K |
Gas phase ion energetics 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.0 | EI | Mikaya, Zaikin, et al., 1979 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C8H8O+ | 9.8 | C4H8 | EI | Mikaya, Zaikin, et al., 1979 |
IR Spectrum
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 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 |
| State | gas |
| Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | Japan AIST/NIMC Database- Spectrum MS-IW-3276 |
| NIST MS number | 243988 |
UV/Visible spectrum
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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 by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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| Source | Lavruchin, Verkhovod, et al., 1955 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 3861 |
| Instrument | n.i.g. |
| Melting point | 63.5 |
| Boiling point | 157(28); 112(5) |
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.
Nenitzescu and Necsoiu, 1950
Nenitzescu, C.D.; Necsoiu, I.,
The Synthesis of Cyclic Alcohols nd Olefins by the Interaction of Dimagnesium Halides and Esters,
J. Am. Chem. Soc., 1950, 72, 3483. [all data]
Signaigo and Cramer, 1933
Signaigo, F.K.; Cramer, P.L.,
The preparation of some mono- and dialkylcylohexanes,
J. Am. Chem. Soc., 1933, 55, 3326-32. [all data]
Mikaya, Zaikin, et al., 1979
Mikaya, A.I.; Zaikin, V.G.; Finkel'stein, E.S.; Vdovin, V.M.,
Mass-spectrometric investigation of aromatic derivatives of cycloalkanes and cycloalkanols,
Izv. Akad. Nauk SSSR, Ser. Khim., 1979, 10, 2221. [all data]
Lavruchin, Verkhovod, et al., 1955
Lavruchin, V.F.; Verkhovod, N.N.; Movchan, P.K.,
Halochromism of tertiary alicyclic and aliphatic carbinols,
Dokl. Akad. Nauk SSSR, 1955, 105, 4, 723-726. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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