- InChI
- InChI=1S/C14H12ClF7N2O2/c1-7-4-5-8(6-9(7)15)24(11(26)23(2)3)10(25)12(16,17)13(18,19)14(20,21)22/h4-6H,1-3H3
- InChI Key
- YJWLAPUVCFNLAN-UHFFFAOYSA-N
- Formula
- C14H12ClF7N2O2
- SMILES
-
Cc1ccc(N(C(=O)N(C)C)C(=O)C(F)(
F)C(F)(F)C(F)(F)F)cc1Cl - Molecular Weight1
- 408.70
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7244 | Relay (... Calculated Property | |
| ΔfG° | -1243.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1759.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.84 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -5.65 | Relay (... Calculated Property | |
| logPoct/wat | 4.496 | Crippen Calculated Property | |
| McVol | 232.090 | ml/mol | McGowan Calculated Property |
| Pc | 1687.95 | kPa | Joback Calculated Property |
| Inp | [1720.00; 1720.00] |
|
|
| Inp | 1720.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Tboil | 560.47 | K | Relay (... Calculated Property |
| Tc | 762.62 | K | Relay (... Calculated Property |
| Tfus | 336.55 | K | Relay (... Calculated Property |
| Vc | 0.857 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.03; 710.71] | J/mol×K | [711.61; 897.47] |
|
| Cp,gas | 654.03 | J/mol×K | 711.61 | Joback Calculated Property |
| Cp,gas | 665.45 | J/mol×K | 742.59 | Joback Calculated Property |
| Cp,gas | 675.97 | J/mol×K | 773.56 | Joback Calculated Property |
| Cp,gas | 685.68 | J/mol×K | 804.54 | Joback Calculated Property |
| Cp,gas | 694.65 | J/mol×K | 835.52 | Joback Calculated Property |
| Cp,gas | 702.97 | J/mol×K | 866.49 | Joback Calculated Property |
| Cp,gas | 710.71 | J/mol×K | 897.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chlortoluron, HFBA.
Sources
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