Benzene, (trimethoxymethyl)-

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Gas 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
Δfgas-433.3 ± 1.3kJ/molCcbRakus, Verevkin, et al., 1995 
Δfgas-429.4 ± 5.2kJ/molEqkGuthrie and Cullimore, 1980 

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
Δfliquid-485.8 ± 3.1kJ/molEqkGuthrie and Cullimore, 1980 
Quantity Value Units Method Reference Comment
Δfsolid-491.9 ± 1.2kJ/molCcbRakus, Verevkin, et al., 1995 
Quantity Value Units Method Reference Comment
Δcsolid-5444.0 ± 1.2kJ/molCcbRakus, Verevkin, et al., 1995Corresponding Δfsolid = -491.9 kJ/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
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
Δvap59.9 ± 0.4kJ/molGSVerevkin, 2002Based on data from 294. to 333. K.; AC
Δvap56.4 ± 4.2kJ/molEGuthrie and Cullimore, 1980ALS
Δvap56.4kJ/molN/AGuthrie and Cullimore, 1980DRB
Quantity Value Units Method Reference Comment
Δsub58.62 ± 0.38kJ/molVRakus, Verevkin, et al., 1995ALS
Δsub58.6kJ/molN/ARakus, Verevkin, et al., 1995DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
360.70.009Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
58.6 ± 0.4294. to 333.GSRakus, Verevkin, et al., 1995AC

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

Benzene, (trimethoxymethyl)- + Water = 2Methyl Alcohol + Benzoic acid, methyl ester

By formula: C10H14O3 + H2O = 2CH4O + C8H8O2

Quantity Value Units Method Reference Comment
Δr-17.3 ± 0.4kJ/molEqkGuthrie and Cullimore, 1980liquid 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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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-6423
NIST MS number 236243

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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.

Rakus, Verevkin, et al., 1995
Rakus, K.; Verevkin, S.P.; Peng, W.-H.; Beckhaus, H.D.; Ruchardt, C., The anomeric effect in orthoesters - the concept of geminal pairwise interactions for the interpretation of standard enthalpies of formation, Liebigs Ann., 1995, 2059-2067. [all data]

Guthrie and Cullimore, 1980
Guthrie, J.P.; Cullimore, P.A., Effect of the acyl substituent on the equilibrium constant for hydration of esters, Can. J. Chem., 1980, 58, 1281-1294. [all data]

Verevkin, 2002
Verevkin, Sergey P., Improved Benson Increments for the Estimation of Standard Enthalpies of Formation and Enthalpies of Vaporization of Alkyl Ethers, Acetals, Ketals, and Ortho Esters, J. Chem. Eng. Data, 2002, 47, 5, 1071-1097, https://doi.org/10.1021/je020023o . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]


Notes

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