- InChI
- InChI=1S/C28H45ClFNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-28(33)23(2)31-27(32)24-20-19-21-25(29)26(24)30/h19-21,23H,3-18,22H2,1-2H3,(H,31,32)
- InChI Key
- GAIRTYDLSHPJBM-UHFFFAOYSA-N
- Formula
- C28H45ClFNO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC
(=O)c1cccc(Cl)c1F - Molecular Weight1
- 498.11
- 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° | -204.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -928.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.04 | kJ/mol | Joback Calculated Property |
| log10WS | -10.18 | Crippen Calculated Property | |
| logPoct/wat | 8.402 | Crippen Calculated Property | |
| McVol | 414.620 | ml/mol | McGowan Calculated Property |
| Pc | 790.37 | kPa | Joback Calculated Property |
| Inp | 3566.00 | NIST | |
| Tboil | 1093.27 | K | Joback Calculated Property |
| Tc | 1353.36 | K | Joback Calculated Property |
| Tfus | 647.04 | K | Joback Calculated Property |
| Vc | 1.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1432.37; 1510.65] | J/mol×K | [1093.27; 1353.36] | 
|
| Cp,gas | 1432.37 | J/mol×K | 1093.27 | Joback Calculated Property |
| Cp,gas | 1449.58 | J/mol×K | 1136.62 | Joback Calculated Property |
| Cp,gas | 1464.96 | J/mol×K | 1179.97 | Joback Calculated Property |
| Cp,gas | 1478.64 | J/mol×K | 1223.31 | Joback Calculated Property |
| Cp,gas | 1490.73 | J/mol×K | 1266.66 | Joback Calculated Property |
| Cp,gas | 1501.36 | J/mol×K | 1310.01 | Joback Calculated Property |
| Cp,gas | 1510.65 | J/mol×K | 1353.36 | Joback Calculated Property |
Similar Compounds
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Sources
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