- InChI
- InChI=1S/C22H28F7NO4/c1-14(2)8-6-4-5-7-9-18(31)30-13-15-10-11-16(17(12-15)33-3)34-19(32)20(23,24)21(25,26)22(27,28)29/h10-12,14H,4-9,13H2,1-3H3,(H,30,31)
- InChI Key
- XMFLKZAAVZSFNM-UHFFFAOYSA-N
- Formula
- C22H28F7NO4
- SMILES
-
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1
OC(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 503.45
- 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° | -1508.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2124.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.92 | kJ/mol | Joback Calculated Property |
| log10WS | -7.82 | Crippen Calculated Property | |
| logPoct/wat | 6.046 | Crippen Calculated Property | |
| McVol | 334.330 | ml/mol | McGowan Calculated Property |
| Pc | 992.63 | kPa | Joback Calculated Property |
| Inp | 2220.00 | NIST | |
| Tboil | 926.91 | K | Joback Calculated Property |
| Tc | 1135.03 | K | Joback Calculated Property |
| Tfus | 582.53 | K | Joback Calculated Property |
| Vc | 1.329 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1107.43; 1178.37] | J/mol×K | [926.91; 1135.03] | 
|
| Cp,gas | 1107.43 | J/mol×K | 926.91 | Joback Calculated Property |
| Cp,gas | 1121.62 | J/mol×K | 961.60 | Joback Calculated Property |
| Cp,gas | 1134.74 | J/mol×K | 996.28 | Joback Calculated Property |
| Cp,gas | 1146.89 | J/mol×K | 1030.97 | Joback Calculated Property |
| Cp,gas | 1158.14 | J/mol×K | 1065.66 | Joback Calculated Property |
| Cp,gas | 1168.61 | J/mol×K | 1100.34 | Joback Calculated Property |
| Cp,gas | 1178.37 | J/mol×K | 1135.03 | Joback Calculated Property |
Similar Compounds
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Sources
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