- InChI
- InChI=1S/C13H9Cl2F7N2O2/c1-23(2)10(26)24(6-3-4-7(14)8(15)5-6)9(25)11(16,17)12(18,19)13(20,21)22/h3-5H,1-2H3
- InChI Key
- GTOSHOMNZWCUAY-UHFFFAOYSA-N
- Formula
- C13H9Cl2F7N2O2
- SMILES
-
CN(C)C(=O)N(C(=O)C(F)(F)C(F)(F
)C(F)(F)F)c1ccc(Cl)c(Cl)c1 - Molecular Weight1
- 429.12
- 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° | -1263.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1618.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.23 | Crippen Calculated Property | |
| logPoct/wat | 4.841 | Crippen Calculated Property | |
| McVol | 230.240 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | [1767.00; 1767.00] |
|
|
| Inp | 1767.00 | NIST | |
| Inp | 1767.00 | NIST | |
| Tboil | 726.16 | K | Joback Calculated Property |
| Tc | 917.12 | K | Joback Calculated Property |
| Tfus | 523.76 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.07; 674.61] | J/mol×K | [726.16; 917.12] |
|
| Cp,gas | 626.07 | J/mol×K | 726.16 | Joback Calculated Property |
| Cp,gas | 635.99 | J/mol×K | 757.99 | Joback Calculated Property |
| Cp,gas | 645.06 | J/mol×K | 789.81 | Joback Calculated Property |
| Cp,gas | 653.38 | J/mol×K | 821.64 | Joback Calculated Property |
| Cp,gas | 661.01 | J/mol×K | 853.47 | Joback Calculated Property |
| Cp,gas | 668.06 | J/mol×K | 885.30 | Joback Calculated Property |
| Cp,gas | 674.61 | J/mol×K | 917.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diuron, HFBA.
Sources
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