- InChI
- InChI=1S/C28H45F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-28(33)23(3)31-27(32)25-24(29)20-19-22(2)26(25)30/h19-20,23H,4-18,21H2,1-3H3,(H,31,32)
- InChI Key
- OQNRAAXJLURWQU-UHFFFAOYSA-N
- Formula
- C28H45F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(
=O)c1c(F)ccc(C)c1F - Molecular Weight1
- 481.66
- 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 | 1.2472 | Relay (1.0) Calculated Property | |
| ΔfG° | -397.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1185.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.806 | Crippen Calculated Property | |
| McVol | 404.150 | ml/mol | McGowan Calculated Property |
| Pc | 780.25 | kPa | Joback Calculated Property |
| Inp | 3403.00 | NIST | |
| Tboil | 680.56 | K | Relay (1.0) Calculated Property |
| Tc | 919.58 | K | Relay (1.0) Calculated Property |
| Tfus | 369.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.509 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1413.75; 1496.39] | J/mol×K | [1060.09; 1312.88] | 
|
| Cp,gas | 1413.75 | J/mol×K | 1060.09 | Joback Calculated Property |
| Cp,gas | 1431.94 | J/mol×K | 1102.22 | Joback Calculated Property |
| Cp,gas | 1448.23 | J/mol×K | 1144.35 | Joback Calculated Property |
| Cp,gas | 1462.72 | J/mol×K | 1186.48 | Joback Calculated Property |
| Cp,gas | 1475.51 | J/mol×K | 1228.62 | Joback Calculated Property |
| Cp,gas | 1486.70 | J/mol×K | 1270.75 | Joback Calculated Property |
| Cp,gas | 1496.39 | J/mol×K | 1312.88 | Joback Calculated Property |
Similar Compounds
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Sources
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