- InChI
- InChI=1S/C12H14O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H,1-2H3/b5-3+,6-4+,9-7+,10-8+
- InChI Key
- JZTBREXKYLZPNJ-MIIZMDLZSA-N
- Formula
- C12H14O4
- SMILES
- COC(=O)C=CC=CC=CC=CC(=O)OC
- Molecular Weight1
- 222.24
- 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).
- 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° | -96.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.45 | kJ/mol | Joback Calculated Property |
| log10WS | -1.99 | Crippen Calculated Property | |
| logPoct/wat | 1.557 | Crippen Calculated Property | |
| McVol | 177.620 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Tboil | 643.18 | K | Joback Calculated Property |
| Tc | 847.98 | K | Joback Calculated Property |
| Tfus | 349.00 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.73; 495.29] | J/mol×K | [643.18; 847.98] | 
|
| Cp,gas | 430.73 | J/mol×K | 643.18 | Joback Calculated Property |
| Cp,gas | 443.15 | J/mol×K | 677.31 | Joback Calculated Property |
| Cp,gas | 454.85 | J/mol×K | 711.45 | Joback Calculated Property |
| Cp,gas | 465.86 | J/mol×K | 745.58 | Joback Calculated Property |
| Cp,gas | 476.24 | J/mol×K | 779.71 | Joback Calculated Property |
| Cp,gas | 486.04 | J/mol×K | 813.85 | Joback Calculated Property |
| Cp,gas | 495.29 | J/mol×K | 847.98 | Joback Calculated Property |
| η | [0.0000821; 0.0012571] | Pa×s | [349.00; 643.18] |
|
| η | 0.0012571 | Pa×s | 349.00 | Joback Calculated Property |
| η | 0.0006029 | Pa×s | 398.03 | Joback Calculated Property |
| η | 0.0003397 | Pa×s | 447.06 | Joback Calculated Property |
| η | 0.0002144 | Pa×s | 496.09 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 545.12 | Joback Calculated Property |
| η | 0.0001073 | Pa×s | 594.15 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 643.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octatetraene dicarboxylic acid, dimethyl ester.
Sources
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