Phenol, 2,5-bis(1-methylethyl)-
- Formula: C12H18O
- Molecular weight: 178.2707
- IUPAC Standard InChI: InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3
- IUPAC Standard InChIKey: VFNUNYPYULIJSN-UHFFFAOYSA-N
- CAS Registry Number: 35946-91-9
- 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: 2,5-Diisopropylphenol; p-Diisopropylbenzene monoalc.
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -60.73 ± 0.67 | kcal/mol | Eqk | Nesterova, Pimerzin, et al., 1989 | Author was aware that data differs from previously reported values; Isomerization |
| ΔfH°gas | -57.5 | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -78. | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1665. | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | Corresponding ΔfHºliquid = -78. kcal/mol (simple calculation by NIST; no Washburn corrections) |
Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
By formula: C12H18O = C12H18O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.20 ± 0.15 | kcal/mol | Eqk | Nesterova, Pilyshchikov, et al., 1983 | liquid phase; GC |
=
By formula: C12H18O = C12H18O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -0.30 ± 0.02 | kcal/mol | Eqk | Nesterova, Pilyshchikov, et al., 1983 | liquid phase; GC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nesterova, Pimerzin, et al., 1989
Nesterova, T.N.; Pimerzin, A.A.; Rozhnov, A.M.; Karlina, T.N.,
Equilibria for the isomerization of (secondary-alkyl)phenols and cyclohexylphenols,
J. Chem. Thermodyn., 1989, 21, 385-395. [all data]
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]
Nesterova, Pilyshchikov, et al., 1983
Nesterova, T.N.; Pilyshchikov, V.A.; Rozhnov, A.M.,
Chemical Equilibrium in the system isopropylphenols-phenol,
J. Appl. Chem. USSR, 1983, 56, 1257-1261. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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