- InChI
- InChI=1S/C12H7Cl5O4/c13-6-3-7(14)12(8(15)4-6)21-11(19)2-1-10(18)20-5-9(16)17/h1-4,9H,5H2/b2-1+
- InChI Key
- DGROYLRWMUMEDY-OWOJBTEDSA-N
- Formula
- C12H7Cl5O4
- SMILES
-
O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1C
l)OCC(Cl)Cl - Molecular Weight1
- 392.45
- 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° | -316.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.455 | Crippen Calculated Property | |
| McVol | 227.960 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | [2398.00; 2398.00] |
|
|
| Inp | 2398.00 | NIST | |
| Inp | 2398.00 | NIST | |
| Tboil | 859.03 | K | Joback Calculated Property |
| Tc | 1098.05 | K | Joback Calculated Property |
| Tfus | 562.82 | K | Joback Calculated Property |
| Vc | 0.867 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.23; 547.17] | J/mol×K | [859.03; 1098.05] |
|
| Cp,gas | 514.23 | J/mol×K | 859.03 | Joback Calculated Property |
| Cp,gas | 521.74 | J/mol×K | 898.87 | Joback Calculated Property |
| Cp,gas | 528.43 | J/mol×K | 938.70 | Joback Calculated Property |
| Cp,gas | 534.29 | J/mol×K | 978.54 | Joback Calculated Property |
| Cp,gas | 539.36 | J/mol×K | 1018.38 | Joback Calculated Property |
| Cp,gas | 543.65 | J/mol×K | 1058.22 | Joback Calculated Property |
| Cp,gas | 547.17 | J/mol×K | 1098.05 | Joback Calculated Property |
| η | [0.0000667; 0.0004006] | Pa×s | [562.82; 859.03] |
|
| η | 0.0004006 | Pa×s | 562.82 | Joback Calculated Property |
| η | 0.0002634 | Pa×s | 612.19 | Joback Calculated Property |
| η | 0.0001843 | Pa×s | 661.56 | Joback Calculated Property |
| η | 0.0001356 | Pa×s | 710.92 | Joback Calculated Property |
| η | 0.0001038 | Pa×s | 760.29 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 809.66 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 859.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 2,2-dichloroethyl ester.
Sources
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