Benzal diacetate
- Formula: C11H12O4
- Molecular weight: 208.2106
- IUPAC Standard InChIKey: XRYSDRCNTMEYFH-UHFFFAOYSA-N
- CAS Registry Number: 581-55-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Methanediol, phenyl-, diacetate; Phenylmethanediol diacetate; Benzylidene diacetate; Benzilydene acetate
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 | -676.85 ± 0.99 | kJ/mol | Ccb | Verevkin, Peng, et al., 1996 |
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°solid | -773.02 ± 0.57 | kJ/mol | Ccb | Verevkin, Peng, et al., 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -5270.56 ± 0.57 | kJ/mol | Ccb | Verevkin, Peng, et al., 1996 | Corresponding ΔfHºsolid = -773.03 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 96.17 ± 0.84 | kJ/mol | V | Verevkin, Peng, et al., 1996 | ALS |
ΔsubH° | 96.2 | kJ/mol | N/A | Verevkin, Peng, et al., 1996 | DRB |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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
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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 | 343517 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
Verevkin, Peng, et al., 1996
Verevkin, S.P.; Peng, W.-H.; Beckhaus, H.D.; Ruchardt, C.,
Thermochemical study of aliphatic and phenyl-substituted germinal diacetates,
Struct. Chem., 1996, 7, 397-404. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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