1,2-Benzenediol, 4-methyl-
- Formula: C7H8O2
- Molecular weight: 124.1372
- IUPAC Standard InChI: InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
- IUPAC Standard InChIKey: ZBCATMYQYDCTIZ-UHFFFAOYSA-N
- CAS Registry Number: 452-86-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 4-Methylcatechol; 3,4-Dihydroxytoluene; Homocatechol; Homopyrocatechol; 2-Hydroxy-4-methylphenol; 4-Methyl-1,2-benzenediol; 4-Methyl-1,2-dihydroxybenzene; p-Methylpyrocatechol; 4-Methylpyrocatechol; Pyrocatechol, 4-methyl-; Toluene-3,4-diol; 1,2-Dihydroxy-4-methylbenzene; 4-Methylbenzene-1,2-diol; 1-Methyl-3,4-dihydroxybenzene; NSC 17489; p-Methylcatechol; 4-Methyl-1,2-benzenediol (4-methylpyrocatechol)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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 | -71.32 ± 0.38 | kcal/mol | Ccb | Ribeiro Da Silva and Ribeiro Da Silva, 1984 |
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°solid | -94.00 ± 0.29 | kcal/mol | Ccb | Ribeiro Da Silva and Ribeiro Da Silva, 1984 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -837.6 ± 0.1 | kcal/mol | Ccb | Ribeiro Da Silva and Ribeiro Da Silva, 1984 | Corresponding ΔfHºsolid = -94.00 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 524.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 22.7 ± 0.24 | kcal/mol | C | Carson, 1984 | AC |
| ΔsubH° | 22.7 ± 0.24 | kcal/mol | C | Ribeiro Da Silva and Ribeiro Da Silva, 1984 | ALS |
| ΔsubH° | 22.7 | kcal/mol | N/A | Ribeiro Da Silva and Ribeiro Da Silva, 1984 | DRB |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 21.5 | 401. | A | Stephenson and Malanowski, 1987 | Based on data from 387. to 415. K.; AC |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1295.1 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | LM-5 | 1293.6 | Ré-Poppi and Santiago-Silva, 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min) |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-5 | 1293. | de Simon, Estruelas, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 2727. | de Simon, Estruelas, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro Da Silva and Ribeiro Da Silva, 1984
Ribeiro Da Silva, M.D.M.C.; Ribeiro Da Silva, M.A.V.,
Enthalpies of combustion of 1,2-dihydroxybenzene and of six alkylsubstituted 1,2-dihydroxybenzenes,
J. Chem. Thermodyn., 1984, 16, 1149-1155. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Carson, 1984
Carson, A.S.,
The molar enthalpy of dehydration of Cr2(O2CCH3)4·2H2O(cr) and the molar enthalpies of sublimation of Cr2(O2CCH3)4(cr), Mo2(O2CCH3)4(cr), and Mo2(O2CCF3)4(cr),
The Journal of Chemical Thermodynamics, 1984, 16, 5, 427-429, https://doi.org/10.1016/0021-9614(84)90198-8
. [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]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Ré-Poppi and Santiago-Silva, 2002
Ré-Poppi, N.; Santiago-Silva, M.R.,
Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal,
Chromatographia, 2002, 55, 7/8, 475-481, https://doi.org/10.1007/BF02492280
. [all data]
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling 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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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