- InChI
- InChI=1S/C17H11Cl3O5/c1-23-13-4-2-3-5-14(13)24-15(21)6-7-16(22)25-17-11(19)8-10(18)9-12(17)20/h2-9H,1H3/b7-6+
- InChI Key
- ROICHDDDCPNCMP-VOTSOKGWSA-N
- Formula
- C17H11Cl3O5
- SMILES
-
COc1ccccc1OC(=O)C=CC(=O)Oc1c(C
l)cc(Cl)cc1Cl - Molecular Weight1
- 401.62
- 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° | -249.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 4.723 | Crippen Calculated Property | |
| McVol | 256.040 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | [2787.00; 2787.00] |
|
|
| Inp | 2787.00 | NIST | |
| Inp | 2787.00 | NIST | |
| Tboil | 953.09 | K | Joback Calculated Property |
| Tc | 1199.77 | K | Joback Calculated Property |
| Tfus | 635.50 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.61; 696.81] | J/mol×K | [953.09; 1199.77] |
|
| Cp,gas | 665.61 | J/mol×K | 953.09 | Joback Calculated Property |
| Cp,gas | 673.87 | J/mol×K | 994.20 | Joback Calculated Property |
| Cp,gas | 680.88 | J/mol×K | 1035.32 | Joback Calculated Property |
| Cp,gas | 686.67 | J/mol×K | 1076.43 | Joback Calculated Property |
| Cp,gas | 691.24 | J/mol×K | 1117.54 | Joback Calculated Property |
| Cp,gas | 694.62 | J/mol×K | 1158.65 | Joback Calculated Property |
| Cp,gas | 696.81 | J/mol×K | 1199.77 | Joback Calculated Property |
| η | [0.0000381; 0.0001961] | Pa×s | [635.50; 953.09] |
|
| η | 0.0001961 | Pa×s | 635.50 | Joback Calculated Property |
| η | 0.0001344 | Pa×s | 688.43 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 741.36 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 794.29 | Joback Calculated Property |
| η | 0.0000574 | Pa×s | 847.23 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 900.16 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 953.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methoxyphenyl 2,4,6-trichlorophenyl ester.
Sources
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