- InChI
- InChI=1S/C16H11Cl2NO3/c17-11-5-7-12(8-6-11)19-15(20)9-10-16(21)22-14-4-2-1-3-13(14)18/h1-10H,(H,19,20)/b10-9+
- InChI Key
- HVQGQWQVWKBDDJ-MDZDMXLPSA-N
- Formula
- C16H11Cl2NO3
- SMILES
-
O=C(C=CC(=O)Oc1ccccc1Cl)Nc1ccc
(Cl)cc1 - Molecular Weight1
- 336.17
- 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).
- 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° | 72.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.15 | kJ/mol | Joback Calculated Property |
| log10WS | -4.86 | Crippen Calculated Property | |
| logPoct/wat | 4.094 | Crippen Calculated Property | |
| McVol | 227.950 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Inp | 3103.00 | NIST | |
| Tboil | 888.15 | K | Joback Calculated Property |
| Tc | 1137.96 | K | Joback Calculated Property |
| Tfus | 577.47 | K | Joback Calculated Property |
| Vc | 0.859 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.59; 642.77] | J/mol×K | [888.15; 1137.96] | 
|
| Cp,gas | 596.59 | J/mol×K | 888.15 | Joback Calculated Property |
| Cp,gas | 606.52 | J/mol×K | 929.78 | Joback Calculated Property |
| Cp,gas | 615.45 | J/mol×K | 971.42 | Joback Calculated Property |
| Cp,gas | 623.46 | J/mol×K | 1013.05 | Joback Calculated Property |
| Cp,gas | 630.63 | J/mol×K | 1054.69 | Joback Calculated Property |
| Cp,gas | 637.04 | J/mol×K | 1096.32 | Joback Calculated Property |
| Cp,gas | 642.77 | J/mol×K | 1137.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-chlorophenyl ester.
Sources
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