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p-tert.-Butylcatechol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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
Deltafgas-89.56 ± 0.50kcal/molCcbRibeiro 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
Deltafsolid-113.3 ± 0.38kcal/molCcbRibeiro Da Silva and Ribeiro Da Silva, 1984 
Quantity Value Units Method Reference Comment
Deltacsolid-1305.4 ± 0.2kcal/molCcbRibeiro Da Silva and Ribeiro Da Silva, 1984Corresponding «DELTA»fsolid = -113.3 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
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
Tboil558.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Ttriple327.KN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tc775.KN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Pc36.52atmN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 2.96 atm; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
rhoc1.79mol/lN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.090 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap23.1 ± 0.67kcal/molEBSteele, Chirico, et al., 1997, 2Based on data from 439. - 516. K.; AC
Quantity Value Units Method Reference Comment
Deltasub23.7 ± 0.2kcal/molGSVerevkin and Schick, 2000AC
Deltasub23.7 ± 0.33kcal/molCCarson, 1984AC
Deltasub23.7 ± 0.33kcal/molCRibeiro Da Silva and Ribeiro Da Silva, 1984ALS
Deltasub23.7kcal/molN/ARibeiro Da Silva and Ribeiro Da Silva, 1984DRB

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
23.6 ± 0.2313.GSVerevkin and Schick, 2000AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.61330.4Verevkin and Schick, 2000AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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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Mass spectrum
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Additional Data

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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-4290
NIST MS number 232316

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.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, 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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1493.Lalel, Singh, et al., 200360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min

References

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturated Line, Measurements for Dimethyl Isophthalate, Dimethyl Carbonate, 1,3,5-Trimethyl benzene, Pentafluorophenol, 4-tert-Butylcatechol, .alp, J. Chem. Eng. Data, 1997, 42, 1008-20. [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturation Line, Measurements for Dimethyl Isophthalate, Dimethyl Carbonate, 1,3,5-Triethylbenzene, Pentafluorophenol, 4- tert -Butylcatechol, «alpha»-Methylstyrene, and N , N '-Bis(2-hydroxyethyl)ethylenediamine, J. Chem. Eng. Data, 1997, 42, 6, 1008-1020, https://doi.org/10.1021/je970102d . [all data]

Verevkin and Schick, 2000
Verevkin, Sergey P.; Schick, Christoph, Substituent Effects on the Benzene Ring. Determination of the Intramolecular Interactions of Substituents in tert -Alkyl-Substituted Catechols from Thermochemical Measurements, J. Chem. Eng. Data, 2000, 45, 5, 946-952, https://doi.org/10.1021/je0001126 . [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]

Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S., Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity, Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8 . [all data]


Notes

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