1,4-Benzenediol, 2-methyl-

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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
Δcsolid-3492.kJ/molCcbSwietoslawski and Starczedska, 1925Corresponding Δfsolid = -405. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
174.9323.Satoh and Sogabe, 1941T = 0 to 100 C. Mean value.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub108.4 ± 3.9kJ/molMERibeiro da Silva and Lobo Ferreira, 2009Based on data from 325. to 341. K.
Δsub100.4 ± 1.4kJ/molGSVerevkin, 1999Based on data from 333. to 368. K.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
107.8 ± 1.1333.MERibeiro da Silva and Lobo Ferreira, 2009Based on data from 325. to 341. K.
97.2 ± 1.4351.GSVerevkin, 1999Based on data from 333. to 368. K.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference
27.6404.2DSCVerevkin, 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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IR 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

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass 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

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References