3-Methyl-4-isopropylphenol
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
- IUPAC Standard InChIKey: IJALWSVNUBBQRA-UHFFFAOYSA-N
- CAS Registry Number: 3228-02-2
- 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, 3-methyl-4-(1-methylethyl)-; o-Cymen-5-ol; p-Thymol; Biosol; 1-Hydroxy-3-methyl-4-isopropylbenzene; 4-Isopropyl-m-cresol; 4-Isopropyl-3-methylphenol; 4-Isopropyl-5-methylphenol
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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 | -44.0 | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 |
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°solid | -69. | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1350. | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | Corresponding ΔfHºsolid = -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:
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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 511.15 | K | N/A | Karr, Estep, et al., 1961 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 519.15 | K | N/A | Bert, 1959 | Uncertainty assigned by TRC = 4. K; TRC |
| Tboil | 511.15 | K | N/A | Karr, 1957 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 511.15 | K | N/A | Meyer and Bernhauer, 1929 | Uncertainty assigned by TRC = 4. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 386. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 24.96 | kcal/mol | C | Bertholon, Giray, et al., 1971 | ALS |
| ΔsubH° | 25.33 | kcal/mol | N/A | Bertholon, Giray, et al., 1971 | DRB |
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]
Karr, Estep, et al., 1961
Karr, C.; Estep, P.A.; Chang, T.-C.L.; Comberiati, H.R.,
, U. S. Bur. Mines, Bull. 591, 1961. [all data]
Bert, 1959
Bert, L.,
C. R. Hebd. Seances Acad. Sci., 1959, 249, 2788. [all data]
Karr, 1957
Karr, C.,
, U. S. Bur. Mines, Inform. Circ. IC 7802, 1957. [all data]
Meyer and Bernhauer, 1929
Meyer, H.; Bernhauer, K.,
Alkylation of aromatic compounds.,
Monatsh. Chem., 1929, 53-54, 721. [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 Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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