- InChI
- InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-24(32)21-31(2)27(33)22-18-19-23(28)26(30)25(22)29/h18-19H,3-17,20-21H2,1-2H3
- InChI Key
- LHCIXFJJELZQPE-UHFFFAOYSA-N
- Formula
- C27H42F3NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(
=O)c1ccc(F)c(F)c1F - Molecular Weight1
- 485.62
- 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 | 1.2489 | Relay (... Calculated Property | |
| ΔfG° | -576.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1271.10 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 75.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.37 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -8.09 | Relay (... Calculated Property | |
| logPoct/wat | 7.591 | Crippen Calculated Property | |
| McVol | 391.830 | ml/mol | McGowan Calculated Property |
| Pc | 792.60 | kPa | Joback Calculated Property |
| Tboil | 684.46 | K | Relay (... Calculated Property |
| Tc | 879.48 | K | Relay (... Calculated Property |
| Tfus | 332.39 | K | Relay (... Calculated Property |
| Vc | 1.479 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1340.01; 1430.00] | J/mol×K | [999.19; 1233.85] | 
|
| Cp,gas | 1340.01 | J/mol×K | 999.19 | Joback Calculated Property |
| Cp,gas | 1358.80 | J/mol×K | 1038.30 | Joback Calculated Property |
| Cp,gas | 1375.96 | J/mol×K | 1077.41 | Joback Calculated Property |
| Cp,gas | 1391.58 | J/mol×K | 1116.52 | Joback Calculated Property |
| Cp,gas | 1405.73 | J/mol×K | 1155.63 | Joback Calculated Property |
| Cp,gas | 1418.51 | J/mol×K | 1194.74 | Joback Calculated Property |
| Cp,gas | 1430.00 | J/mol×K | 1233.85 | Joback Calculated Property |
Similar Compounds
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Sources
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