- InChI
- InChI=1S/C23H35ClFNO3/c1-4-5-6-7-8-9-10-11-12-16-29-23(28)21(17(2)3)26-22(27)18-14-13-15-19(24)20(18)25/h13-15,17,21H,4-12,16H2,1-3H3,(H,26,27)
- InChI Key
- IWDFXPNAANJEFZ-UHFFFAOYSA-N
- Formula
- C23H35ClFNO3
- SMILES
-
CCCCCCCCCCCOC(=O)C(NC(=O)c1ccc
c(Cl)c1F)C(C)C - Molecular Weight1
- 427.98
- 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° | -249.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -830.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.52 | kJ/mol | Joback Calculated Property |
| log10WS | -7.84 | Crippen Calculated Property | |
| logPoct/wat | 6.308 | Crippen Calculated Property | |
| McVol | 344.170 | ml/mol | McGowan Calculated Property |
| Pc | 1061.71 | kPa | Joback Calculated Property |
| Inp | [2922.00; 2922.00] |
|
|
| Inp | 2922.00 | NIST | |
| Inp | 2922.00 | NIST | |
| Tboil | 978.43 | K | Joback Calculated Property |
| Tc | 1197.94 | K | Joback Calculated Property |
| Tfus | 575.69 | K | Joback Calculated Property |
| Vc | 1.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1122.07; 1194.36] | J/mol×K | [978.43; 1197.94] |
|
| Cp,gas | 1122.07 | J/mol×K | 978.43 | Joback Calculated Property |
| Cp,gas | 1137.22 | J/mol×K | 1015.02 | Joback Calculated Property |
| Cp,gas | 1151.05 | J/mol×K | 1051.60 | Joback Calculated Property |
| Cp,gas | 1163.63 | J/mol×K | 1088.19 | Joback Calculated Property |
| Cp,gas | 1175.00 | J/mol×K | 1124.77 | Joback Calculated Property |
| Cp,gas | 1185.23 | J/mol×K | 1161.36 | Joback Calculated Property |
| Cp,gas | 1194.36 | J/mol×K | 1197.94 | Joback Calculated Property |
Similar Compounds
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Sources
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