- InChI
- InChI=1S/C26H41F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32-24(30)21-29(2)26(31)25-22(27)18-17-19-23(25)28/h17-19H,3-16,20-21H2,1-2H3
- InChI Key
- IGEJERNJGSPWJH-UHFFFAOYSA-N
- Formula
- C26H41F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CN(C)C(=
O)c1c(F)cccc1F - Molecular Weight1
- 453.61
- 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 | 1.1948 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1089.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.061 | Crippen Calculated Property | |
| McVol | 375.970 | ml/mol | McGowan Calculated Property |
| Pc | 867.09 | kPa | Joback Calculated Property |
| Tboil | 672.42 | K | Relay (1.0) Calculated Property |
| Tc | 887.98 | K | Relay (1.0) Calculated Property |
| Tfus | 337.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.421 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1270.86; 1360.09] | J/mol×K | [972.06; 1193.37] | 
|
| Cp,gas | 1270.86 | J/mol×K | 972.06 | Joback Calculated Property |
| Cp,gas | 1289.08 | J/mol×K | 1008.95 | Joback Calculated Property |
| Cp,gas | 1305.86 | J/mol×K | 1045.83 | Joback Calculated Property |
| Cp,gas | 1321.28 | J/mol×K | 1082.72 | Joback Calculated Property |
| Cp,gas | 1335.40 | J/mol×K | 1119.60 | Joback Calculated Property |
| Cp,gas | 1348.32 | J/mol×K | 1156.49 | Joback Calculated Property |
| Cp,gas | 1360.09 | J/mol×K | 1193.37 | Joback Calculated Property |
Similar Compounds
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Sources
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