m-Cresyl acetate
- Formula: C9H10O2
- Molecular weight: 150.1745
- IUPAC Standard InChIKey: OTGAHJPFNKQGAE-UHFFFAOYSA-N
- CAS Registry Number: 122-46-3
- 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: Acetic acid, m-tolyl ester; m-Acetoxytoluene; m-Cresol acetate; m-Methylphenyl acetate; m-Tolyl acetate; Cresatin; Cresatin-Sulzberger; Kresatin; Metacresol acetate; 3-Methylphenyl acetate; 3-Methylphenyl ester of acetic acid; Acetic acid m-cresol ester; Acetylmetacresol; m-Cresol acetic acid ester; Acetic acid, m-methylphenyl ester; Acetic acid, 3-methylphenyl ester; 3-Acetoxytoluene; 3-Methylphenol acetate; NSC 4795; 3-Tolyl acetate
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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 485.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.3 | 400. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 385. to 480. K. See also Sheehan and Langer, 1969.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.5 | 295. | TE | Balson, 1947 | Based on data from 274. to 317. K. See also Jones, 1960.; AC |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C9H10O2 + H2O = C7H8O + C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.39 ± 0.14 | kcal/mol | Cm | Sunner, 1957 | liquid phase; Heat of hydrolysis |
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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.0 ± 0.2 | EI | Gamble, Gilbert, et al., 1971 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H3O+ | 13.8 ± 0.2 | C6H4(CH3)O | EI | Gamble, Gilbert, et al., 1971 | |
C7H8O+ | 10.0 ± 0.2 | CH2=C=O | EI | Gamble, Gilbert, et al., 1971 |
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: 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) 1987 by the Coblentz Society Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | WYANDOTTE CHEMICALS CORP. |
Source reference | COBLENTZ NO. 9809 |
Date | Not specified, most likely prior to 1977 |
Name(s) | 3-methylphenyl acetate m-CRESYLACETATE (YELLOW LABEL) |
State | LIQUID (NEAT) |
Instrument | BAIRD (PRISM) |
Instrument parameters | NaCl PRISM |
Path length | CAPILLARY |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY |
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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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 | Japan AIST/NIMC Database- Spectrum MS-NW-3371 |
NIST MS number | 229176 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Sheehan and Langer, 1969
Sheehan, Richard J.; Langer, Stanley H.,
Vapor pressures of fluorine- and silicon-containing derivatives of some hydroxylic compounds,
J. Chem. Eng. Data, 1969, 14, 2, 248-250, https://doi.org/10.1021/je60041a011
. [all data]
Balson, 1947
Balson, E.W.,
Studies in vapour pressure measurement, Part III.?An effusion manometer sensitive to 5 «65533» 10?6 millimetres of mercury: vapour pressure of D.D.T. and other slightly volatile substances,
Trans. Faraday Soc., 1947, 43, 54, https://doi.org/10.1039/tf9474300054
. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Sunner, 1957
Sunner, S.,
The heat of hydrolysis of i-propenyl acetate and m-cresyl acetate and the heat of formation of acetone,
Acta Chem. Scand., 1957, 11, 1757-1760. [all data]
Gamble, Gilbert, et al., 1971
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G.,
Substituent effects on the mass spectra of substituted phenyl acetates,
Org. Mass Spectrom., 1971, 5, 1093. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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