Phenol, 2,6-bis(1,1-dimethylethyl)-
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChI: InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
- IUPAC Standard InChIKey: DKCPKDPYUFEZCP-UHFFFAOYSA-N
- CAS Registry Number: 128-39-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Phenol, 2,6-di-tert-butyl-; 2,6-Bis(tert-butyl)phenol; 2,6-Bis(1,1-dimethylethyl)phenol; 2,6-Di-tert-butylphenol; Phenol, 2,6-bis(t-butyl); 2,6-di-t-Butylphenol; Ethanox 701; Ethyl 701; 2,6-DTBP; 2,6-(1,1-Dimethylethyl)phenol; 2,6-Bis(t-butyl)phenol; Isonox 103; AN 701; Ethyl AN 701; Hitec 4701; NSC 49175; Phenol, 2,4-di-tert.-butyl
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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 | -262. | kJ/mol | Ccb | Bertholon, Giray, et al., 1971 |
Reaction 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
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: C18H30O + C10H14O = C14H22O + C14H22O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 0.1 ± 0.46 | kJ/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase |
+
= 2
By formula: C6H6O + C14H22O = 2C10H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.8 ± 0.54 | kJ/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase |
Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.70 ± 0.02 | PE | Maier and Turner, 1973 | LLK |
| 8.15 | PE | Cetinkaya, Lappert, et al., 1983 | Vertical value; LBLHLM |
References
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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]
Pil'shchikov, Nesterova, et al., 1981
Pil'shchikov, V.A.; Nesterova, T.N.; Rozhnov, A.M.,
Equilibrium in the system phenol-tert-butylphenols,
J. Appl. Chem. USSR, 1981, 54, 1765-1769. [all data]
Maier and Turner, 1973
Maier, J.P.; Turner, D.W.,
Steric inhibition of resonance studied by molecular photoelectron spectroscopy Part 3. Anilines, Phenols and Related Compounds,
J. Chem. Soc. Faraday Trans. 2, 1973, 69, 521. [all data]
Cetinkaya, Lappert, et al., 1983
Cetinkaya, B.; Lappert, M.F.; Suffolk, R.J.,
Photoelectron spectra of some sterically hindered phenols and related compounds,
J. Chem. Res. Synop., 1983, 316. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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