Benzene, 1,2,3-trimethyl-
- Formula: C9H12
- Molecular weight: 120.1916
- IUPAC Standard InChI: InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
- IUPAC Standard InChIKey: FYGHSUNMUKGBRK-UHFFFAOYSA-N
- CAS Registry Number: 526-73-8
- 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: Hemimellitene; 1,2,3-Trimethylbenzene; Hemellitol; 1,2,3-TrimethyIbenzene; 1,2,3-trimethylbenzene (hemimellitene)
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Condensed phase thermochemistry data
Go To: Top, References, Notes
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -58.6 ± 1.3 | kJ/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -5198.0 ± 1.2 | kJ/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; Corresponding ΔfHºliquid = -58.53 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 267.94 | J/mol*K | N/A | Taylor, Johnson, et al., 1955 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 216.44 | 298.15 | Taylor, Johnson, et al., 1955 | T = 19 to 301 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
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]
Taylor, Johnson, et al., 1955
Taylor, R.D.; Johnson, B.H.; Kilpatrick, J.E.,
Entropy, heat capacity, and heats of transition of 1,2,3-trimethylbenzene,
J. Chem. Phys., 1955, 23, 1225-1231. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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