- InChI
- InChI=1S/C13H10ClF7N2O3/c1-22(26-2)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
- PFPSQTVOEHJXIU-UHFFFAOYSA-N
- Formula
- C13H10ClF7N2O3
- SMILES
-
CON(C)C(=O)N(C(=O)C(F)(F)C(F)(
F)C(F)(F)F)c1ccc(Cl)cc1 - Molecular Weight1
- 410.67
- 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° | -1347.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1723.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 4.119 | Crippen Calculated Property | |
| McVol | 223.870 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | [1649.00; 1649.00] |
|
|
| Inp | 1649.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Tboil | 706.17 | K | Joback Calculated Property |
| Tc | 891.81 | K | Joback Calculated Property |
| Tfus | 503.55 | K | Joback Calculated Property |
| Vc | 0.864 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.66; 681.98] | J/mol×K | [706.17; 891.81] |
|
| Cp,gas | 628.66 | J/mol×K | 706.17 | Joback Calculated Property |
| Cp,gas | 639.54 | J/mol×K | 737.11 | Joback Calculated Property |
| Cp,gas | 649.53 | J/mol×K | 768.05 | Joback Calculated Property |
| Cp,gas | 658.70 | J/mol×K | 798.99 | Joback Calculated Property |
| Cp,gas | 667.12 | J/mol×K | 829.93 | Joback Calculated Property |
| Cp,gas | 674.85 | J/mol×K | 860.87 | Joback Calculated Property |
| Cp,gas | 681.98 | J/mol×K | 891.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Monolinuron, HFBA.
Sources
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