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
Δvap17.2 ± 0.1kcal/molGSVerevkin, 1999Based on data from 291. to 333. K.

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
17.0 ± 0.1312.GSVerevkin, 1999Based on data from 291. to 333. K.
14.7362.AStephenson and Malanowski, 1987Based on data from 347. to 520. K.
18.1286.AStephenson and Malanowski, 1987Based on data from 275. to 297. K. See also Aihara, 1960.
13.3348.N/AStage, Müller, et al., 1953Based on data from 347. to 532. K.
12.9373.N/AStage, Müller, et al., 1953Based on data from 347. to 532. K.
12.7398.N/AStage, Müller, et al., 1953Based on data from 347. to 532. K.
12.2423.N/AStage, Müller, et al., 1953Based on data from 347. to 532. K.
11.2473.N/AStage, Müller, et al., 1953Based on data from 347. to 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
Δr0.60 ± 0.84kcal/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
Δr-4.18 ± 0.29kcal/molEqkNesterova, Verevkin, et al., 1985liquid phase

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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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

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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

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