- InChI
- InChI=1S/C12H9Cl3O4/c1-2-18-10(16)3-4-11(17)19-12-8(14)5-7(13)6-9(12)15/h3-6H,2H2,1H3/b4-3+
- InChI Key
- ZQUKPRSELNYMAD-ONEGZZNKSA-N
- Formula
- C12H9Cl3O4
- SMILES
-
CCOC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)
cc1Cl - Molecular Weight1
- 323.56
- 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).
- 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° | -289.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.671 | Crippen Calculated Property | |
| McVol | 203.480 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | [2059.00; 2059.00] |
|
|
| Inp | 2059.00 | NIST | |
| Inp | 2059.00 | NIST | |
| Tboil | 784.61 | K | Joback Calculated Property |
| Tc | 1014.85 | K | Joback Calculated Property |
| Tfus | 517.98 | K | Joback Calculated Property |
| Vc | 0.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.14; 522.10] | J/mol×K | [784.61; 1014.85] |
|
| Cp,gas | 477.14 | J/mol×K | 784.61 | Joback Calculated Property |
| Cp,gas | 486.61 | J/mol×K | 822.98 | Joback Calculated Property |
| Cp,gas | 495.27 | J/mol×K | 861.36 | Joback Calculated Property |
| Cp,gas | 503.14 | J/mol×K | 899.73 | Joback Calculated Property |
| Cp,gas | 510.23 | J/mol×K | 938.11 | Joback Calculated Property |
| Cp,gas | 516.55 | J/mol×K | 976.48 | Joback Calculated Property |
| Cp,gas | 522.10 | J/mol×K | 1014.85 | Joback Calculated Property |
| η | [0.0000962; 0.0005116] | Pa×s | [517.98; 784.61] |
|
| η | 0.0005116 | Pa×s | 517.98 | Joback Calculated Property |
| η | 0.0003469 | Pa×s | 562.42 | Joback Calculated Property |
| η | 0.0002490 | Pa×s | 606.86 | Joback Calculated Property |
| η | 0.0001870 | Pa×s | 651.30 | Joback Calculated Property |
| η | 0.0001457 | Pa×s | 695.73 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 740.17 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 784.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, ethyl 2,4,6-trichlorophenyl ester.
Sources
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