- InChI
- InChI=1S/C22H32F3NO3/c1-3-4-5-6-7-8-9-10-11-12-15-29-19(27)16-26(2)22(28)17-13-14-18(23)21(25)20(17)24/h13-14H,3-12,15-16H2,1-2H3
- InChI Key
- KGDYAPNFVWFSLP-UHFFFAOYSA-N
- Formula
- C22H32F3NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1
ccc(F)c(F)c1F - Molecular Weight1
- 415.49
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0687 | Relay (1.0) Calculated Property | |
| ΔfG° | -618.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1170.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.640 | Crippen Calculated Property | |
| McVol | 321.380 | ml/mol | McGowan Calculated Property |
| Pc | 1059.64 | kPa | Joback Calculated Property |
| Inp | 2703.00 | NIST | |
| Tboil | 649.27 | K | Relay (1.0) Calculated Property |
| Tc | 842.45 | K | Relay (1.0) Calculated Property |
| Tfus | 321.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.207 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.83; 1111.98] | J/mol×K | [884.79; 1083.39] | 
|
| Cp,gas | 1030.83 | J/mol×K | 884.79 | Joback Calculated Property |
| Cp,gas | 1047.04 | J/mol×K | 917.89 | Joback Calculated Property |
| Cp,gas | 1062.12 | J/mol×K | 950.99 | Joback Calculated Property |
| Cp,gas | 1076.11 | J/mol×K | 984.09 | Joback Calculated Property |
| Cp,gas | 1089.06 | J/mol×K | 1017.19 | Joback Calculated Property |
| Cp,gas | 1101.00 | J/mol×K | 1050.29 | Joback Calculated Property |
| Cp,gas | 1111.98 | J/mol×K | 1083.39 | Joback Calculated Property |
Similar Compounds
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Sources
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