Phenol, 4-(1,1,3,3-tetramethylbutyl)-
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChIKey: ISAVYTVYFVQUDY-UHFFFAOYSA-N
- CAS Registry Number: 140-66-9
- 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. - Other names: Phenol, p-(1,1,3,3-tetramethylbutyl)-; p-(1,1,3,3-Tetramethylbutyl)phenol; p-tert-Octylphenol; 4-(1,1,3,3-Tetramethylbutyl)phenol; 4-tert-Octylphenol; p-(1',1',3',3'-Tetramethylbutyl)phenol; p-Terc.oktylfenol; para-tert-Octylphenol; Phenol, p-(tert-octyl)-
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 358.17 | K | N/A | McDonald, Shrader, et al., 1959 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 356. | K | N/A | Trigo Gonzales, 1958 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 16.9 ± 0.07 | kcal/mol | GS | Verevkin, 1999 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
448.2 | 0.039 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.4 ± 0.07 | 329. | GS | Verevkin, 1999 | Based on data from 309. to 350. K.; AC |
17.3 | 396. | A | Stephenson and Malanowski, 1987 | Based on data from 381. to 563. K. See also McDonald, Shrader, et al., 1959, 2 and Boublik, Fried, et al., 1984.; 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 |
---|---|---|---|---|
472.47 to 564.77 | 4.10232 | 1812.48 | -121.732 | McDonald, Shrader, et al., 1959, 2 |
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.
McDonald, Shrader, et al., 1959
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of 30 Organics,
J. Chem. Eng. Data, 1959, 4, 311. [all data]
Trigo Gonzales, 1958
Trigo Gonzales, G.,
Alkylphenols I. Alkylation of Phenol by Olefins
in Compt. Rend. Congr. Intern. Chim.Ind. 31st, 1958. [all data]
Verevkin, 1999
Verevkin, S.P.,
Thermochemistry of phenols: quantification of theortho-,para-, andmeta-interactions in tert-alkyl substituted phenols,
The Journal of Chemical Thermodynamics, 1999, 31, 5, 559-585, https://doi.org/10.1006/jcht.1998.0459
. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
McDonald, Shrader, et al., 1959, 2
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of Thirty Pure Organic Compounds.,
J. Chem. Eng. Data, 1959, 4, 4, 311-313, https://doi.org/10.1021/je60004a009
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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