- InChI
- InChI=1S/C13H10ClF7N2O2/c1-22(2)10(25)23(8-5-3-7(14)4-6-8)9(24)11(15,16)12(17,18)13(19,20)21/h3-6H,1-2H3
- InChI Key
- BFXDEBCMYRXRTM-UHFFFAOYSA-N
- Formula
- C13H10ClF7N2O2
- SMILES
-
CN(C)C(=O)N(C(=O)C(F)(F)C(F)(F
)C(F)(F)F)c1ccc(Cl)cc1 - Molecular Weight1
- 394.67
- 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° | -1242.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1591.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.188 | Crippen Calculated Property | |
| McVol | 218.000 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | [1647.00; 1647.00] |
|
|
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Tboil | 683.75 | K | Joback Calculated Property |
| Tc | 869.63 | K | Joback Calculated Property |
| Tfus | 481.32 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.50; 658.49] | J/mol×K | [683.75; 869.63] |
|
| Cp,gas | 603.50 | J/mol×K | 683.75 | Joback Calculated Property |
| Cp,gas | 614.74 | J/mol×K | 714.73 | Joback Calculated Property |
| Cp,gas | 625.04 | J/mol×K | 745.71 | Joback Calculated Property |
| Cp,gas | 634.48 | J/mol×K | 776.69 | Joback Calculated Property |
| Cp,gas | 643.14 | J/mol×K | 807.67 | Joback Calculated Property |
| Cp,gas | 651.12 | J/mol×K | 838.65 | Joback Calculated Property |
| Cp,gas | 658.49 | J/mol×K | 869.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Monuron, HFBA.
Sources
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