- InChI
- InChI=1S/C22H33ClFNO3/c1-4-5-6-7-8-9-10-11-15-28-22(27)20(16(2)3)25-21(26)17-13-12-14-18(23)19(17)24/h12-14,16,20H,4-11,15H2,1-3H3,(H,25,26)
- InChI Key
- WZBKOACPSDODKV-UHFFFAOYSA-N
- Formula
- C22H33ClFNO3
- SMILES
-
CCCCCCCCCCOC(=O)C(NC(=O)c1cccc
(Cl)c1F)C(C)C - Molecular Weight1
- 413.95
- 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° | -257.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.30 | kJ/mol | Joback Calculated Property |
| log10WS | -7.43 | Crippen Calculated Property | |
| logPoct/wat | 5.917 | Crippen Calculated Property | |
| McVol | 330.080 | ml/mol | McGowan Calculated Property |
| Pc | 1131.38 | kPa | Joback Calculated Property |
| Inp | 2816.00 | NIST | |
| Tboil | 955.55 | K | Joback Calculated Property |
| Tc | 1170.82 | K | Joback Calculated Property |
| Tfus | 564.42 | K | Joback Calculated Property |
| Vc | 1.280 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1061.32; 1132.85] | J/mol×K | [955.55; 1170.82] | 
|
| Cp,gas | 1061.32 | J/mol×K | 955.55 | Joback Calculated Property |
| Cp,gas | 1076.20 | J/mol×K | 991.43 | Joback Calculated Property |
| Cp,gas | 1089.83 | J/mol×K | 1027.31 | Joback Calculated Property |
| Cp,gas | 1102.27 | J/mol×K | 1063.19 | Joback Calculated Property |
| Cp,gas | 1113.55 | J/mol×K | 1099.07 | Joback Calculated Property |
| Cp,gas | 1123.72 | J/mol×K | 1134.94 | Joback Calculated Property |
| Cp,gas | 1132.85 | J/mol×K | 1170.82 | Joback Calculated Property |
Similar Compounds
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Sources
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