- InChI
- InChI=1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3
- InChI Key
- MJHNUUNSCNRGJE-UHFFFAOYSA-N
- Formula
- C12H12O6
- SMILES
-
COC(=O)c1ccc(C(=O)OC)c(C(=O)OC
)c1 - Molecular Weight1
- 252.22
- CAS
- 2459-10-1
- Other Names
-
- Methyl trimellitate
- Trimellitic acid trimethyl ester
- Trimethyl trimellitate
- Trimethyl 1,2,4-benzenetricarboxylate
- 1,2,4-Tris(methoxycarbonyl)benzene
- trimethyl benzene-1,2,4-tricarboxylate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -558.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 1.046 | Crippen Calculated Property | |
| McVol | 178.500 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | 1800.00 | NIST | |
| Tboil | 739.47 | K | Joback Calculated Property |
| Tc | 956.11 | K | Joback Calculated Property |
| Tfus | 492.94 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.46; 529.23] | J/mol×K | [739.47; 956.11] | 
|
| Cp,gas | 473.46 | J/mol×K | 739.47 | Joback Calculated Property |
| Cp,gas | 485.01 | J/mol×K | 775.58 | Joback Calculated Property |
| Cp,gas | 495.68 | J/mol×K | 811.68 | Joback Calculated Property |
| Cp,gas | 505.47 | J/mol×K | 847.79 | Joback Calculated Property |
| Cp,gas | 514.34 | J/mol×K | 883.89 | Joback Calculated Property |
| Cp,gas | 522.27 | J/mol×K | 920.00 | Joback Calculated Property |
| Cp,gas | 529.23 | J/mol×K | 956.11 | Joback Calculated Property |
| η | [0.0001164; 0.0006214] | Pa×s | [492.94; 739.47] |
|
| η | 0.0006214 | Pa×s | 492.94 | Joback Calculated Property |
| η | 0.0004222 | Pa×s | 534.03 | Joback Calculated Property |
| η | 0.0003031 | Pa×s | 575.12 | Joback Calculated Property |
| η | 0.0002275 | Pa×s | 616.21 | Joback Calculated Property |
| η | 0.0001770 | Pa×s | 657.29 | Joback Calculated Property |
| η | 0.0001418 | Pa×s | 698.38 | Joback Calculated Property |
| η | 0.0001164 | Pa×s | 739.47 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [436.00; 467.20] | K | [0.30; 1.60] |
|
| Tboilr | 436.00 ± 2.00 | K | 0.30 | NIST |
| Tboilr | 467.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 1,2,4-Benzenetricarboxylic acid, trimethyl ester.
Sources
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