Formic acid phenyl ester
- Formula: C7H6O2
- Molecular weight: 122.1213
- IUPAC Standard InChIKey: GEOWCLRLLWTHDN-UHFFFAOYSA-N
- CAS Registry Number: 1864-94-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Phenyl formate
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -51.55 ± 0.74 | kcal/mol | Ccb | Anthoney, Carson, et al., 1976 | See 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 |
---|---|---|---|---|---|
ΔfH°liquid | -64.20 ± 0.69 | kcal/mol | Ccb | Anthoney, Carson, et al., 1976 | See Anthoney, Carson, et al., 1975 |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -799.09 ± 0.67 | kcal/mol | Ccb | Anthoney, Carson, et al., 1976 | See Anthoney, Carson, et al., 1975; Corresponding ΔfHºliquid = -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 |
---|---|---|---|---|---|
ΔvapH° | 12.6 ± 0.1 | kcal/mol | BG | Anthoney, Carson, et al., 1976, 2 | Based on data from 287. to 305. K. See also Anthoney, Carson, et al., 1975, 2.; AC |
ΔvapH° | 12.6 | kcal/mol | N/A | Anthoney, Carson, et al., 1976 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.6 ± 0.24 | 287. | V | Anthoney, Carson, et al., 1976 | See 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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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 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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