- InChI
- InChI=1S/C26H40F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-23(31)20-30(2)26(32)21-17-18-22(27)25(29)24(21)28/h17-18H,3-16,19-20H2,1-2H3
- InChI Key
- AJQWTFMBLRUJQG-UHFFFAOYSA-N
- Formula
- C26H40F3NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CN(C)C(=
O)c1ccc(F)c(F)c1F - Molecular Weight1
- 471.60
- 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).
- 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 | 1.2130 | Relay (1.0) Calculated Property | |
| ΔfG° | -584.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1250.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.200 | Crippen Calculated Property | |
| McVol | 377.740 | ml/mol | McGowan Calculated Property |
| Pc | 837.24 | kPa | Joback Calculated Property |
| Tboil | 677.57 | K | Relay (1.0) Calculated Property |
| Tc | 872.23 | K | Relay (1.0) Calculated Property |
| Tfus | 330.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1277.16; 1365.23] | J/mol×K | [976.31; 1201.43] | 
|
| Cp,gas | 1277.16 | J/mol×K | 976.31 | Joback Calculated Property |
| Cp,gas | 1295.35 | J/mol×K | 1013.83 | Joback Calculated Property |
| Cp,gas | 1312.04 | J/mol×K | 1051.35 | Joback Calculated Property |
| Cp,gas | 1327.30 | J/mol×K | 1088.87 | Joback Calculated Property |
| Cp,gas | 1341.20 | J/mol×K | 1126.39 | Joback Calculated Property |
| Cp,gas | 1353.82 | J/mol×K | 1163.91 | Joback Calculated Property |
| Cp,gas | 1365.23 | J/mol×K | 1201.43 | Joback Calculated Property |
Similar Compounds
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Sources
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