Benzoyl chloride, 4-methoxy-
- Formula: C8H7ClO2
- Molecular weight: 170.593
- IUPAC Standard InChIKey: MXMOTZIXVICDSD-UHFFFAOYSA-N
- CAS Registry Number: 100-07-2
- 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: p-Anisoyl chloride; p-Methoxybenzoic acid chloride; p-Methoxybenzoyl chloride; Anisoyl chloride; Benzoyl chloride, p-methoxy-; 4-Methoxybenzoic acid chloride; 4-Methoxybenzoyl chloride; 4-Anisoyl chloride; UN 1729; NSC 86125; Benzoyl chloride, methoxy-; Methoxybenzoyl chloride
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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 |
---|---|---|---|---|---|
ΔfH°gas | -261.8 ± 5.1 | kJ/mol | Cm | Guthrie, Pike, et al., 1992 | Hydrolysis |
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 | -335.9 ± 2.9 | kJ/mol | Cm | Guthrie, Pike, et al., 1992 | Hydrolysis |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 417. | K | N/A | Branch and Nixon, 1936 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 294. | K | N/A | Branch and Nixon, 1936 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 74.1 ± 4.2 | kJ/mol | E | Guthrie, Pike, et al., 1992 | Hydrolysis; ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
418.2 | 0.019 | Aldrich Chemical Company Inc., 1990 | BS |
Gas phase ion energetics 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.87 ± 0.05 | EI | Foffani, Pignataro, et al., 1964 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Guthrie, Pike, et al., 1992
Guthrie, J.P.; Pike, D.C.; Lee, Y.-C.,
Equilibrium constants and heats of formation of methyl esters and N,N-dimethyl amides of substituted benzoic acids,
Can. J. Chem., 1992, 70, 1671-1683. [all data]
Branch and Nixon, 1936
Branch, G.E.K.; Nixon, A.C.,
The Rate of Alcoholysis of Acyl Chlorides,
J. Am. Chem. Soc., 1936, 58, 2499-2504. [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]
Foffani, Pignataro, et al., 1964
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F.,
Ionization potentials and substituent effects for aromatic carbonyl compounds,
Z. Physik. Chem. (Frankfurt), 1964, 42, 221. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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