1,4-Benzenediol, 2-methyl-
- Formula: C7H8O2
- Molecular weight: 124.1372
- IUPAC Standard InChIKey: CNHDIAIOKMXOLK-UHFFFAOYSA-N
- CAS Registry Number: 95-71-6
- 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. - Species with the same structure:
- Other names: Hydroquinone, methyl-; p-Toluhydroquinol; p-Toluhydroquinone; p-Toluquinol; Methyl-p-hydroquinone; Methylhydroquinone; Toluhydroquinone; Toluquinol; Tolylhydroquinone; THQ; 2-Methyl-1,4-Benzenediol; 2-Methylhydroquinone; 2,5-Dihydroxytoluene; 1,4-Dihydroxy-2-methylbenzene; 2,5-Toluenediol; 2-Methyl-p-hydroquinone; 2-Methyl-1,4-hydroquinone; NSC 4962; 2-Methyl-1,4-benzenediol (2-methylhydroquinone)
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°solid | -834.7 | kcal/mol | Ccb | Swietoslawski and Starczedska, 1925 | Corresponding ΔfHºsolid = -96.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.80 | 323. | Satoh and Sogabe, 1941 | T = 0 to 100 C. Mean value.; DH |
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 by: William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 25.91 ± 0.93 | kcal/mol | ME | Ribeiro da Silva and Lobo Ferreira, 2009 | Based on data from 325. to 341. K. |
ΔsubH° | 24.00 ± 0.33 | kcal/mol | GS | Verevkin, 1999 | Based on data from 333. to 368. K. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
25.76 ± 0.26 | 333. | ME | Ribeiro da Silva and Lobo Ferreira, 2009 | Based on data from 325. to 341. K. |
23.2 ± 0.33 | 351. | GS | Verevkin, 1999 | Based on data from 333. to 368. K. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
---|---|---|---|
6.60 | 404.2 | DSC | Verevkin, 1999 |
IR Spectrum
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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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-4789 |
NIST MS number | 229907 |
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
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1223. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
Capillary | HP-5 | 1226. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Swietoslawski and Starczedska, 1925
Swietoslawski, W.; Starczedska, H.,
Correction des donnees thermochimiques de M.A. Valeur,
J. Chem. Phys., 1925, 22, 399-401. [all data]
Satoh and Sogabe, 1941
Satoh, S.; Sogabe, T.,
The heat capacities of some organic compounds containing nitrogen and the atomic heat of nitrogen. (3), Sci.,
Pap. Inst. Phys. Chem. Res. (Tokyo), 1941, 38, 238-245. [all data]
Ribeiro da Silva and Lobo Ferreira, 2009
Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.,
Experimental standard molar enthalpies of formation of some methylbenzenediol isomers,
The Journal of Chemical Thermodynamics, 2009, 41, 10, 1096-1103, https://doi.org/10.1016/j.jct.2009.04.015
. [all data]
Verevkin, 1999
Verevkin, Sergey P.,
Substituent effects on the benzene ring. Prediction of the thermochemical properties of alkyl substituted hydroquinones,
Phys. Chem. Chem. Phys., 1999, 1, 1, 127-131, https://doi.org/10.1039/a806706f
. [all data]
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [all data]
Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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