- 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
- Other Names
-
- triethyl 1-propene-1,2,3-tricarboxylate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7406 | Relay (1.0) Calculated Property | |
| ΔfG° | -809.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1133.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.992 | Crippen Calculated Property | |
| McVol | 197.960 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Tboil | 568.49 | K | Relay (1.0) Calculated Property |
| Tc | 731.51 | K | Relay (1.0) Calculated Property |
| Tfus | 264.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.59; 594.69] | J/mol×K | [652.86; 838.60] | 
|
| Cp,gas | 525.59 | J/mol×K | 652.86 | Joback Calculated Property |
| Cp,gas | 539.07 | J/mol×K | 683.82 | Joback Calculated Property |
| Cp,gas | 551.77 | J/mol×K | 714.77 | Joback Calculated Property |
| Cp,gas | 563.68 | J/mol×K | 745.73 | Joback Calculated Property |
| Cp,gas | 574.80 | J/mol×K | 776.69 | Joback Calculated Property |
| Cp,gas | 585.13 | J/mol×K | 807.65 | Joback Calculated Property |
| Cp,gas | 594.69 | J/mol×K | 838.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Propenetricarboxylic acid, triethyl ester.
Sources
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