Phenol, 2,4,6-trimethyl-
- Formula: C9H12O
- Molecular weight: 136.1910
- IUPAC Standard InChI: InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
- IUPAC Standard InChIKey: BPRYUXCVCCNUFE-UHFFFAOYSA-N
- CAS Registry Number: 527-60-6
- 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: Mesitol; Mesityl alcohol; 1-Hydroxy-2,4,6-trimethylbenzene; 2-Hydroxymesitylene; 2,4,6-Trimethylphenol; 2,4,6-Trimetylofenol
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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:
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 493.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 494.15 | K | N/A | Hey, 1961 | Uncertainty assigned by TRC = 3. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 344. ± 3. | K | AVG | N/A | Average of 10 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 19.8 ± 0.07 | kcal/mol | GS | Verevkin, 1999 | AC |
| ΔsubH° | 22.7 | kcal/mol | C | Bertholon, Giray, et al., 1971 | See also Verevkin, 1999.; AC |
| ΔsubH° | 22.71 | kcal/mol | C | Bertholon, Giray, et al., 1971, 2 | ALS |
| ΔsubH° | 22.3 | kcal/mol | N/A | Bertholon, Giray, et al., 1971, 2 | DRB |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 12.7 | 382. | A | Stephenson and Malanowski, 1987 | Based on data from 367. - 494. K. See also von Terres, Gebert, et al., 1955.; 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 |
|---|---|---|---|---|---|
| 367. - 493.8 | 4.50984 | 1917.363 | -68.384 | von Terres, Gebert, et al., 1955, 2 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, 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]
Hey, 1961
Hey, D.H.,
J. Chem. Soc., 1961, 1961, 1581. [all data]
Verevkin, 1999
Verevkin, Sergey P.,
Thermochemistry of phenols: buttress effects in sterically hindered phenols,
The Journal of Chemical Thermodynamics, 1999, 31, 11, 1397-1416, https://doi.org/10.1006/jcht.1999.0466
. [all data]
Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F.,
Bull. Soc. Chim. Fr., 1971, 9, 3180. [all data]
Bertholon, Giray, et al., 1971, 2
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F.,
No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols,
Bull. Soc. Chim. France, 1971, 3180-3187. [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]
von Terres, Gebert, et al., 1955
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W.,
Brennst.-Chem., 1955, 36, 272. [all data]
von Terres, Gebert, et al., 1955, 2
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W.,
Zur Kenntnis der physikalisch-chemischen Grundlagen der Gewinnung und Zerlegung der Phenolfraktionen von Steinkohlenteer und Braunkohlenschwelteer. IV. Mitteilung Die Dampfdrucke von Phenol und Phenolderivaten,
Brennst.-Chem., 1955, 36, 272-274. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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