- InChI
- InChI=1S/C12H11Cl2NO3/c1-15(2)11(16)5-6-12(17)18-10-7-8(13)3-4-9(10)14/h3-7H,1-2H3/b6-5+
- InChI Key
- GPVUURIZAVRHAT-AATRIKPKSA-N
- Formula
- C12H11Cl2NO3
- SMILES
-
CN(C)C(=O)C=CC(=O)Oc1cc(Cl)ccc
1Cl - Molecular Weight1
- 288.13
- 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° | -52.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.543 | Crippen Calculated Property | |
| McVol | 195.350 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Inp | 2329.00 | NIST | |
| Tboil | 732.22 | K | Joback Calculated Property |
| Tc | 958.69 | K | Joback Calculated Property |
| Tfus | 485.78 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.66; 527.12] | J/mol×K | [732.22; 958.69] | 
|
| Cp,gas | 472.66 | J/mol×K | 732.22 | Joback Calculated Property |
| Cp,gas | 483.71 | J/mol×K | 769.97 | Joback Calculated Property |
| Cp,gas | 493.92 | J/mol×K | 807.71 | Joback Calculated Property |
| Cp,gas | 503.32 | J/mol×K | 845.46 | Joback Calculated Property |
| Cp,gas | 511.95 | J/mol×K | 883.20 | Joback Calculated Property |
| Cp,gas | 519.87 | J/mol×K | 920.95 | Joback Calculated Property |
| Cp,gas | 527.12 | J/mol×K | 958.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 2,5-dichlorophenyl ester.
Sources
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