- InChI
- InChI=1S/C26H41ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-26(31)24(20(2)3)29-25(30)21-17-16-18-22(27)23(21)28/h16-18,20,24H,4-15,19H2,1-3H3,(H,29,30)
- InChI Key
- IDZJJGOBIMTAEJ-UHFFFAOYSA-N
- Formula
- C26H41ClFNO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1
cccc(Cl)c1F)C(C)C - Molecular Weight1
- 470.06
- 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° | -223.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.20 | kJ/mol | Joback Calculated Property |
| log10WS | -9.10 | Crippen Calculated Property | |
| logPoct/wat | 7.478 | Crippen Calculated Property | |
| McVol | 386.440 | ml/mol | McGowan Calculated Property |
| Pc | 887.35 | kPa | Joback Calculated Property |
| Inp | [3242.00; 3242.00] |
|
|
| Inp | 3242.00 | NIST | |
| Inp | 3242.00 | NIST | |
| Tboil | 1047.07 | K | Joback Calculated Property |
| Tc | 1285.80 | K | Joback Calculated Property |
| Tfus | 609.50 | K | Joback Calculated Property |
| Vc | 1.504 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1307.15; 1381.97] | J/mol×K | [1047.07; 1285.80] |
|
| Cp,gas | 1307.15 | J/mol×K | 1047.07 | Joback Calculated Property |
| Cp,gas | 1323.27 | J/mol×K | 1086.86 | Joback Calculated Property |
| Cp,gas | 1337.82 | J/mol×K | 1126.65 | Joback Calculated Property |
| Cp,gas | 1350.88 | J/mol×K | 1166.43 | Joback Calculated Property |
| Cp,gas | 1362.53 | J/mol×K | 1206.22 | Joback Calculated Property |
| Cp,gas | 1372.87 | J/mol×K | 1246.01 | Joback Calculated Property |
| Cp,gas | 1381.97 | J/mol×K | 1285.80 | Joback Calculated Property |
Similar Compounds
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Sources
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