- InChI
- InChI=1S/C12H12O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h4-6H,1-3H3
- InChI Key
- RGCHNYAILFZUPL-UHFFFAOYSA-N
- Formula
- C12H12O6
- SMILES
-
COC(=O)c1cc(C(=O)OC)cc(C(=O)OC
)c1 - Molecular Weight1
- 252.22
- CAS
- 2672-58-4
- Other Names
-
- Trimesic acid trimethyl ester
- Trimethyl trimesate
- Trimethyl 1,3,5-benzenetricarboxylate
- Trimethyl benzene-1,3,5-tricarboxylate
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -5336.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | -558.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.82 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -1101.10 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 28.46 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [117.50; 118.90] | kJ/mol |
|
| ΔsubH° | 118.90 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 117.50 ± 0.80 | kJ/mol | NIST |
| 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 | [1860.00; 1892.00] |
|
|
| Inp | 1872.00 | NIST | |
| Inp | 1879.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1892.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1872.00 | NIST | |
| Tboil | 739.47 | K | Joback Calculated Property |
| Tc | 956.11 | K | Joback Calculated Property |
| Tfus | 419.40 ± 0.10 | K | NIST |
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 470 480 490 500 510 520 530 800 900 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 1.00e-4 2.00e-4 3.00e-4 4.00e-4 5.00e-4 6.00e-4 500 600 700 | ||||
| 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 |
| ΔfusH | 17.60 | kJ/mol | 419.40 | NIST |
| ΔsubH | 115.90 ± 0.40 | kJ/mol | 359.00 | NIST |
| ΔvapH | 75.40 | kJ/mol | 478.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3,5-Benzenetricarboxylic acid, trimethyl ester.
Sources
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