- InChI
- InChI=1S/C28H45F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-28(33)23(2)31-27(32)24-19-20-25(29)26(30)22-24/h19-20,22-23H,3-18,21H2,1-2H3,(H,31,32)
- InChI Key
- NBSYQFBNYZWFHE-UHFFFAOYSA-N
- Formula
- C28H45F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC
(=O)c1ccc(F)c(F)c1 - 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 | 1.2591 | Relay (1.0) Calculated Property | |
| ΔfG° | -387.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1185.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.888 | Crippen Calculated Property | |
| McVol | 404.150 | ml/mol | McGowan Calculated Property |
| Pc | 786.83 | kPa | Joback Calculated Property |
| Inp | 3344.00 | NIST | |
| Tboil | 682.91 | K | Relay (1.0) Calculated Property |
| Tc | 907.02 | K | Relay (1.0) Calculated Property |
| Tfus | 354.96 | 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 | [1414.55; 1499.48] | J/mol×K | [1055.11; 1306.31] | 
|
| Cp,gas | 1414.55 | J/mol×K | 1055.11 | Joback Calculated Property |
| Cp,gas | 1432.93 | J/mol×K | 1096.98 | Joback Calculated Property |
| Cp,gas | 1449.47 | J/mol×K | 1138.84 | Joback Calculated Property |
| Cp,gas | 1464.29 | J/mol×K | 1180.71 | Joback Calculated Property |
| Cp,gas | 1477.50 | J/mol×K | 1222.57 | Joback Calculated Property |
| Cp,gas | 1489.19 | J/mol×K | 1264.44 | Joback Calculated Property |
| Cp,gas | 1499.48 | J/mol×K | 1306.31 | Joback Calculated Property |
Similar Compounds
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Sources
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