Phenol, 2-(1,1-dimethylethyl)-4-methyl-
- Formula: C11H16O
- Molecular weight: 164.2441
- IUPAC Standard InChIKey: IKEHOXWJQXIQAG-UHFFFAOYSA-N
- CAS Registry Number: 2409-55-4
- 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: p-Cresol, 2-tert-butyl-; o-tert-Butyl-p-cresol; 2-tert-Butyl-p-Cresol; 2-tert-Butyl-4-Methylphenol; 4-Methyl-2-tert-butylphenol; 1-Hydroxy-2-tert-butyl-4-methylbenzene; 2-tert-Butyl-4-methyl-1-phenol; 2-Terc.butyl-p-kresol; 2-t-Butyl-p-cresol; 2-t-Butyl-4-methylphenol; 2-(1,1-Dimethylethyl)-4-methyl-phenol; 2-tert-Butyl-4-cresol; 4-Methyl-2-(1,1-dimethylethyl)phenol; 4-Methyl-6-t-butylphenol; NSC 60301; 2-(1,1'-dimethylethyl)-4-methylphenol
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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 |
---|---|---|---|---|---|
Tboil | 510.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 325.16 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 325.45 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 15.7 ± 0.07 | kcal/mol | GS | Verevkin, 1999 | Based on data from 327. to 358. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 19.8 ± 0.1 | kcal/mol | GS | Verevkin, 1999 | Based on data from 288. to 318. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.1 ± 0.07 | 343. | GS | Verevkin, 1999 | Based on data from 327. to 358. K.; AC |
14.1 | 400. | A | Stephenson and Malanowski, 1987 | Based on data from 385. to 517. K.; AC |
13.8 | 348. | N/A | Stage, Müller, et al., 1953 | Based on data from 343. to 507. K.; AC |
13.3 | 373. | N/A | Stage, Müller, et al., 1953 | Based on data from 343. to 507. K.; AC |
12.6 | 423. | N/A | Stage, Müller, et al., 1953 | Based on data from 343. to 507. K.; AC |
11.6 | 473. | N/A | Stage, Müller, et al., 1953 | Based on data from 343. to 507. K.; 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 |
---|---|---|---|---|---|
343. to 505.8 | 5.53818 | 2635.051 | -30.066 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
19.7 ± 0.1 | 303. | GS | Verevkin, 1999 | Based on data from 288. to 318. K.; AC |
18.5 | 284. | A | Stephenson and Malanowski, 1987 | Based on data from 274. to 294. K. See also Aihara, 1960.; AC |
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.
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]
Witschonke, 1954
Witschonke, C.R.,
Freezing point and purity data for some organic compounds,
Anal. Chem., 1954, 26, 562-4. [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]
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]
Stage, Müller, et al., 1953
Stage, H.; Müller, E.; Faldix, P.,
Erdol u Kohle, 1953, 6, 375. [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]
Aihara, 1960
Aihara, Ariyuki,
Estimation of the Energy of Hydrogen Bonds Formed in Crystals. II. Phenols,
Bull. Chem. Soc. Jpn., 1960, 33, 2, 194-200, https://doi.org/10.1246/bcsj.33.194
. [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 ΔsubH° Enthalpy of sublimation at standard conditions 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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