Benzene, 1-ethyl-3-methyl-
- Formula: C9H12
- Molecular weight: 120.1916
- IUPAC Standard InChI: InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
- IUPAC Standard InChIKey: ZLCSFXXPPANWQY-UHFFFAOYSA-N
- CAS Registry Number: 620-14-4
- 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: Toluene, m-ethyl-; m-Ethylmethylbenzene; m-Ethyltoluene; m-Methylethylbenzene; 1-Ethyl-3-methylbenzene; 1-Methyl-3-ethylbenzene; 3-Ethyltoluene; meta-Ethyltoluene; Benzene, 3-ethyl-1-methyl-; 1,3-Methylethylbenzene; 3-Ethyl-1-methylbenzene; 3-Ethylmethylbenzene; 3-Methylethylbenzene; NSC 74176
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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 | -1.9 ± 1.2 | kJ/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946 |
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
3 +
=
By formula: 3H2 + C9H12 = C9H18
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -208. | kJ/mol | Eqk | Miki, 1975 | gas phase; GC |
3 +
=
By formula: 3H2 + C9H12 = C9H18
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -200. | kJ/mol | Eqk | Miki, 1975 | gas phase; GC |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (5% CCl4 FOR 3800-1330, 5% CS2 FOR 1330-450 CM-1); DOW KBr FOREPRISM-GRATING; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Johnson, Prosen, et al., 1945
Johnson, W.H.; Prosen, E.J.; Rossini, F.D.,
Heats of combustion and isomerization of the eight C9H12 alkylbenzenes,
J. Res. NBS, 1945, 35, 141-146. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes,
J. Res. NBS, 1946, 36, 455-461. [all data]
Miki, 1975
Miki, Y.,
The thermodynamic properties of C9H18 naphthenes. I. The determination of the equilibrium constants of the hydrogenation of propyl- and isopropylbenzene and ethyltoluenes,
Bull. Chem. Soc. Jpn., 1975, 48, 201-208. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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