- InChI
- InChI=1S/C25H36F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-34-18(32)17-31(2)25(33)19-20(26)22(28)24(30)23(29)21(19)27/h3-17H2,1-2H3
- InChI Key
- CEOWCCZAKHOTFS-UHFFFAOYSA-N
- Formula
- C25H36F5NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O
)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 493.55
- 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° | -1002.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1650.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.69 | kJ/mol | Joback Calculated Property |
| log10WS | -8.83 | Crippen Calculated Property | |
| logPoct/wat | 7.089 | Crippen Calculated Property | |
| McVol | 367.190 | ml/mol | McGowan Calculated Property |
| Pc | 825.74 | kPa | Joback Calculated Property |
| Inp | 2896.00 | NIST | |
| Tboil | 961.93 | K | Joback Calculated Property |
| Tc | 1187.02 | K | Joback Calculated Property |
| Tfus | 618.04 | K | Joback Calculated Property |
| Vc | 1.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1227.42; 1311.56] | J/mol×K | [961.93; 1187.02] | 
|
| Cp,gas | 1227.42 | J/mol×K | 961.93 | Joback Calculated Property |
| Cp,gas | 1245.05 | J/mol×K | 999.44 | Joback Calculated Property |
| Cp,gas | 1261.16 | J/mol×K | 1036.96 | Joback Calculated Property |
| Cp,gas | 1275.80 | J/mol×K | 1074.47 | Joback Calculated Property |
| Cp,gas | 1289.05 | J/mol×K | 1111.99 | Joback Calculated Property |
| Cp,gas | 1300.95 | J/mol×K | 1149.50 | Joback Calculated Property |
| Cp,gas | 1311.56 | J/mol×K | 1187.02 | Joback Calculated Property |
Similar Compounds
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Sources
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