Formic acid phenyl ester

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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-51.55 ± 0.74kcal/molCcbAnthoney, Carson, et al., 1976See Anthoney, Carson, et al., 1975

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-64.20 ± 0.69kcal/molCcbAnthoney, Carson, et al., 1976See Anthoney, Carson, et al., 1975
Quantity Value Units Method Reference Comment
Δcliquid-799.09 ± 0.67kcal/molCcbAnthoney, Carson, et al., 1976See Anthoney, Carson, et al., 1975; Corresponding Δfliquid = -64.22 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:
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δvap12.6 ± 0.1kcal/molBGAnthoney, Carson, et al., 1976, 2Based on data from 287. to 305. K. See also Anthoney, Carson, et al., 1975, 2.; AC
Δvap12.6kcal/molN/AAnthoney, Carson, et al., 1976DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.6 ± 0.24287.VAnthoney, Carson, et al., 1976See Anthoney, Carson, et al., 1975; ALS

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 SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
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.
Origin NIST Mass Spectrometry Data Center
NIST MS number 342997

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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.

Anthoney, Carson, et al., 1976
Anthoney, M.E.; Carson, A.S.; Laye, P.G., Enthalpy of formation of phenyl formate and related bond dissociation energies, J. Chem. Soc. Perkin Trans. 2, 1976, 1032-1036. [all data]

Anthoney, Carson, et al., 1975
Anthoney, M.E.; Carson, A.S.; Laye, P.G., The thermochemistry of formates and oxalates, Conf. Int. Thermodyn. Chim. C.R. 4th, 1975, 1, 99-103. [all data]

Anthoney, Carson, et al., 1976, 2
Anthoney, Martin E.; Carson, A. Selwood; Laye, Peter G., Enthalpy of formation of phenyl formate and related bond dissociation energies, J. Chem. Soc., Perkin Trans. 2, 1976, 9, 1032, https://doi.org/10.1039/p29760001032 . [all data]

Anthoney, Carson, et al., 1975, 2
Anthoney, M.E.; Carson, A.S.; Laye, P.G., Conf. Int. Thermodyn. Chim. C. R. 4th, 1975, 1, 99. [all data]


Notes

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