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1,4-Benzenediol, 2-methyl-

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Condensed phase thermochemistry data

Go To: Top, Phase change 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 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
Deltacsolid-834.7kcal/molCcbSwietoslawski and Starczedska, 1925Corresponding «DELTA»fsolid = -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
41.80323.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
Deltasub25.91 ± 0.93kcal/molMERibeiro da Silva and Lobo Ferreira, 2009Based on data from 325. - 341. K.
Deltasub24.00 ± 0.33kcal/molGSVerevkin, 1999Based on data from 333. - 368. K.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
25.76 ± 0.26333.MERibeiro da Silva and Lobo Ferreira, 2009Based on data from 325. - 341. K.
23.2 ± 0.33351.GSVerevkin, 1999Based on data from 333. - 368. K.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference
6.60404.2DSCVerevkin, 1999

IR Spectrum

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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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

View image of digitized spectrum (can be printed in landscape orientation).

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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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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