- InChI
- InChI=1S/C28H45F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-28(33)26(22(2)3)31-27(32)24-19-18-23(29)21-25(24)30/h18-19,21-22,26H,4-17,20H2,1-3H3,(H,31,32)
- InChI Key
- KPIQKHCPGBPOFM-UHFFFAOYSA-N
- Formula
- C28H45F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)
c1ccc(F)cc1F)C(C)C - Molecular Weight1
- 481.66
- 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° | -389.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1114.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.45 | kJ/mol | Joback Calculated Property |
| log10WS | -9.58 | Crippen Calculated Property | |
| logPoct/wat | 7.744 | Crippen Calculated Property | |
| McVol | 404.150 | ml/mol | McGowan Calculated Property |
| Pc | 790.37 | kPa | Joback Calculated Property |
| Inp | [3190.00; 3190.00] |
|
|
| Inp | 3190.00 | NIST | |
| Inp | 3190.00 | NIST | |
| Tboil | 1054.67 | K | Joback Calculated Property |
| Tc | 1303.60 | K | Joback Calculated Property |
| Tfus | 602.71 | K | Joback Calculated Property |
| Vc | 1.585 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1414.76; 1498.35] | J/mol×K | [1054.67; 1303.60] |
|
| Cp,gas | 1414.76 | J/mol×K | 1054.67 | Joback Calculated Property |
| Cp,gas | 1432.89 | J/mol×K | 1096.16 | Joback Calculated Property |
| Cp,gas | 1449.20 | J/mol×K | 1137.65 | Joback Calculated Property |
| Cp,gas | 1463.80 | J/mol×K | 1179.13 | Joback Calculated Property |
| Cp,gas | 1476.78 | J/mol×K | 1220.62 | Joback Calculated Property |
| Cp,gas | 1488.26 | J/mol×K | 1262.11 | Joback Calculated Property |
| Cp,gas | 1498.35 | J/mol×K | 1303.60 | Joback Calculated Property |
Similar Compounds
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Sources
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