Phenol, 3-ethyl-5-methyl-
- Formula: C9H12O
- Molecular weight: 136.1910
- IUPAC Standard InChI: InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
- IUPAC Standard InChIKey: XTCHLXABLZQNNN-UHFFFAOYSA-N
- CAS Registry Number: 698-71-5
- 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: m-Cresol, 5-ethyl-; 3-Ethyl-5-methylphenol; 3-Methyl-5-ethylphenol; 1-Hydroxy-3-methyl-5-ethylbenzene; 5-ethyl-m-cresol; 5-Ethyl-3-methyphenol
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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:
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 | 507. ± 3. | K | AVG | N/A | Average of 7 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 326. ± 3. | K | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 55.0 | 483. | A,GS,EB | Stephenson and Malanowski, 1987 | Based on data from 468. - 521. K. See also Handley, Harrop, et al., 1964.; AC |
| 58.5 | 58.5 | N/A | von Terres, Gebert, et al., 1955 | Based on data from 385. - 506. 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 |
|---|---|---|---|---|---|
| 468.23 - 520.32 | 4.14171 | 1597.508 | -122.628 | Handley, Harrop, et al., 1964, 2 | Coefficents calculated by NIST from author's data. |
| 384.7 - 506. | 5.59237 | 2684.391 | -25.167 | 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.
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]
Handley, Harrop, et al., 1964
Handley, R.; Harrop, D.; Martin, J.F.; Sprake, C.H.S.,
846. Thermodynamic properties of organic oxygen compounds. Part XIV. Purification and vapour pressures of some alkylphenols,
J. Chem. Soc., 1964, 4404, https://doi.org/10.1039/jr9640004404
. [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]
Handley, Harrop, et al., 1964, 2
Handley, R.; Harrop, D.; Martin, J.F.; Sprake, C.H.S.,
Thermodynamic Properties of Organic Oxygen Compounds. Part XIV. Purification and Vapour Pressures of Some Alkylphenols,
J. Chem. Soc., 1964, 4404-4406, https://doi.org/10.1039/jr9640004404
. [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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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