- InChI
- InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3
- InChI Key
- IDDWGDKSBYYEPL-UHFFFAOYSA-N
- Formula
- C12H18O6
- SMILES
- CCOC(=O)C=C(CC(=O)OCC)C(=O)OCC
- Molecular Weight1
- 258.27
- CAS
- 5349-99-5
- Other Names
-
- triethyl 1-propene-1,2,3-tricarboxylate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -579.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -917.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.81 | kJ/mol | Joback Calculated Property |
| log10WS | -1.29 | Crippen Calculated Property | |
| logPoct/wat | 0.992 | Crippen Calculated Property | |
| McVol | 197.960 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| Tboil | 706.87 | K | Joback Calculated Property |
| Tc | 899.36 | K | Joback Calculated Property |
| Tfus | 422.44 | K | Joback Calculated Property |
| Vc | 0.760 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.23; 605.78] | J/mol×K | [706.87; 899.36] | 
|
| Cp,gas | 539.23 | J/mol×K | 706.87 | Joback Calculated Property |
| Cp,gas | 552.13 | J/mol×K | 738.95 | Joback Calculated Property |
| Cp,gas | 564.31 | J/mol×K | 771.03 | Joback Calculated Property |
| Cp,gas | 575.76 | J/mol×K | 803.11 | Joback Calculated Property |
| Cp,gas | 586.49 | J/mol×K | 835.20 | Joback Calculated Property |
| Cp,gas | 596.50 | J/mol×K | 867.28 | Joback Calculated Property |
| Cp,gas | 605.78 | J/mol×K | 899.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Propenetricarboxylic acid, triethyl ester.
Sources
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