Phenol, 2-methyl-6-(1-methylethyl)-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7,11H,1-3H3
- IUPAC Standard InChIKey: KFETUQFRWIVAMU-UHFFFAOYSA-N
- CAS Registry Number: 3228-04-4
- 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: 2-Isopropyl-6-methylphenol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -45.42 | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | see Lamartine and Perrin, 1969 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -64. | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | see Lamartine and Perrin, 1969 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1355. | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | see Lamartine and Perrin, 1969; Corresponding ΔfHºliquid = -64. kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1350. ± 3. | kcal/mol | Ccb | Lamartine and Perrin, 1969 | Corresponding ΔfHºliquid = -69. kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 498.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 498.65 | K | N/A | Guillaumin, 1910 | Uncertainty assigned by TRC = 4. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 18.58 | kcal/mol | C | Bertholon, Giray, et al., 1971 | see Lamartine and Perrin, 1969; ALS |
| ΔvapH° | 19.1 | kcal/mol | N/A | Bertholon, Giray, et al., 1971 | DRB |
| ΔvapH° | 12.4 ± 0.6 | kcal/mol | V | Lamartine and Perrin, 1969 | ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 341.2 | 0.004 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.0 | 386. | EB | Lamartine and Perrin, 1969, 2 | Based on data from 371. to 499. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bertholon, Giray, et al., 1971
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]
Lamartine and Perrin, 1969
Lamartine, R.; Perrin, R.,
Etude physiocochimique des phenols. VIII. Caracterisation physicochimique des methyl-2 isopropylphenols ou carvacrols,
Bull. Soc. Chim. France, 1969, 10, 443-445. [all data]
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]
Guillaumin, 1910
Guillaumin, C.,
Bull. Soc. Chim. Fr., 1910, 7, 332. [all data]
Lamartine and Perrin, 1969, 2
Lamartine, R.; Perrin, R.,
Bull. Soc. Chim. Fr., 1969, 2, 443. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.