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Phenol, 4-(1,1-dimethylethyl)-2-methyl-

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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
Deltavap72.1 ± 0.6kJ/molGSVerevkin, 1999Based on data from 291. - 333. K.

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
71.3 ± 0.6312.GSVerevkin, 1999Based on data from 291. - 333. K.
61.5362.AStephenson and Malanowski, 1987Based on data from 347. - 520. K.
75.7286.AStephenson and Malanowski, 1987Based on data from 275. - 297. K. See also Aihara, 1960.
55.7348.N/AStage, Müller, et al., 1953Based on data from 347. - 532. K.
53.9373.N/AStage, Müller, et al., 1953Based on data from 347. - 532. K.
53.2398.N/AStage, Müller, et al., 1953Based on data from 347. - 532. K.
50.9423.N/AStage, Müller, et al., 1953Based on data from 347. - 532. K.
46.7473.N/AStage, Müller, et al., 1953Based on data from 347. - 532. K.

Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl- + Phenol, 2-methyl- = Phenol, 2-(1,1-dimethylethyl)-6-methyl- + Phenol, 4-(1,1-dimethylethyl)-2-methyl-

By formula: C15H24O + C7H8O = C11H16O + C11H16O

Quantity Value Units Method Reference Comment
Deltar2.5 ± 3.5kJ/molEqkNesterova, Verevkin, et al., 1985liquid phase

Phenol, 2-(1,1-dimethylethyl)-6-methyl- = Phenol, 4-(1,1-dimethylethyl)-2-methyl-

By formula: C11H16O = C11H16O

Quantity Value Units Method Reference Comment
Deltar-17.5 ± 1.2kJ/molEqkNesterova, Verevkin, et al., 1985liquid phase

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)

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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.
NIST MS number 6037

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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, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-11333.6Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C

References

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

Verevkin, 1999
Verevkin, S.P., Thermochemistry of phenols: quantification of theortho-,para-, andmeta-interactions in tert-alkyl substituted phenols, The Journal of Chemical Thermodynamics, 1999, 31, 5, 559-585, https://doi.org/10.1006/jcht.1998.0459 . [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]

Aihara, 1960
Aihara, Ariyuki, Estimation of the Energy of Hydrogen Bonds Formed in Crystals. II. Phenols, Bull. Chem. Soc. Jpn., 1960, 33, 2, 194-200, https://doi.org/10.1246/bcsj.33.194 . [all data]

Stage, Müller, et al., 1953
Stage, H.; Müller, E.; Faldix, P., Erdol u Kohle, 1953, 6, 375. [all data]

Nesterova, Verevkin, et al., 1985
Nesterova, T.N.; Verevkin, S.P.; Malova, T.N.; Pilshchikov, V.A., Study of an equilibrium of tert-alkylphenols (thermodynamic analysis of the alkylation of phenols by branched olefins), Zh. Prikl. Khim. (Leningrad), 1985, 58, 827-833. [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References