- InChI
- InChI=1S/C22H32F3NO3/c1-2-3-4-5-6-7-8-9-10-11-16-29-19(27)14-15-26-22(28)17-12-13-18(23)21(25)20(17)24/h12-13H,2-11,14-16H2,1H3,(H,26,28)
- InChI Key
- PAWDLTABFBISKR-UHFFFAOYSA-N
- Formula
- C22H32F3NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CCNC(=O)c1cc
c(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 | 1.1077 | Relay (1.0) Calculated Property | |
| ΔfG° | -640.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1212.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.688 | Crippen Calculated Property | |
| McVol | 321.380 | ml/mol | McGowan Calculated Property |
| Pc | 1070.06 | kPa | Joback Calculated Property |
| Inp | 2776.00 | NIST | |
| Tboil | 659.74 | K | Relay (1.0) Calculated Property |
| Tc | 865.28 | K | Relay (1.0) Calculated Property |
| Tfus | 342.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.196 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1048.02; 1124.20] | J/mol×K | [922.52; 1129.48] | 
|
| Cp,gas | 1048.02 | J/mol×K | 922.52 | Joback Calculated Property |
| Cp,gas | 1063.59 | J/mol×K | 957.01 | Joback Calculated Property |
| Cp,gas | 1077.96 | J/mol×K | 991.51 | Joback Calculated Property |
| Cp,gas | 1091.17 | J/mol×K | 1026.00 | Joback Calculated Property |
| Cp,gas | 1103.26 | J/mol×K | 1060.49 | Joback Calculated Property |
| Cp,gas | 1114.25 | J/mol×K | 1094.99 | Joback Calculated Property |
| Cp,gas | 1124.20 | J/mol×K | 1129.48 | Joback Calculated Property |
Similar Compounds
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Sources
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