Methyl-2-iodobenzoate
- Formula: C8H7IO2
- Molecular weight: 262.0445
- IUPAC Standard InChI: InChI=1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
- IUPAC Standard InChIKey: BXXLTVBTDZXPTN-UHFFFAOYSA-N
- CAS Registry Number: 610-97-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Benzoic acid, 2-iodo-, methyl ester; Benzoic acid, o-iodo-, methyl ester; Methyl o-iodobenzoate; 2-Iodobenzoic acid methyl ester; o-Iodobenzoic acid, methyl ester
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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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -3905.3 ± 4.2 | kJ/mol | Ccb | Smith, 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3906.3 ± 6.3 kJ/mol |
IR Spectrum
Go To: Top, Condensed phase thermochemistry 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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | DOW CHEMICAL COMPANY |
| Source reference | COBLENTZ NO. 6273 |
| Date | 1963/05/31 |
| Name(s) | methyl 2-iodobenzoate |
| State | SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-400 CM-1) |
| Instrument | DOW KBr FOREPRISM-GRATING |
| Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON |
| Path length | 0.011 CM, 0.010 CM SPECTRAL CONTAMINATION DUE TO CS2 AROUND 400, 850 AND CCl4 AROUND 1550 CM-1 HAVE BEEN SUBTRACTED |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Smith, 1956
Smith, L.,
Corrected heats of combustion of organic iodine compounds,
Acta Chem. Scand., 1956, 10, 884-886. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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