- InChI
- InChI=1S/C25H40FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-24(28)21-27(2)25(29)22-16-18-23(26)19-17-22/h16-19H,3-15,20-21H2,1-2H3
- InChI Key
- WSRGPCPUTAHORD-UHFFFAOYSA-N
- Formula
- C25H40FNO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O
)c1ccc(F)cc1 - Molecular Weight1
- 421.59
- 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 | 1.1450 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -934.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.532 | Crippen Calculated Property | |
| McVol | 360.110 | ml/mol | McGowan Calculated Property |
| Pc | 952.60 | kPa | Joback Calculated Property |
| Tboil | 681.28 | K | Relay (1.0) Calculated Property |
| Tc | 881.06 | K | Relay (1.0) Calculated Property |
| Tfus | 320.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.356 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1201.92; 1290.79] | J/mol×K | [944.93; 1157.04] | 
|
| Cp,gas | 1201.92 | J/mol×K | 944.93 | Joback Calculated Property |
| Cp,gas | 1219.78 | J/mol×K | 980.28 | Joback Calculated Property |
| Cp,gas | 1236.34 | J/mol×K | 1015.63 | Joback Calculated Property |
| Cp,gas | 1251.65 | J/mol×K | 1050.99 | Joback Calculated Property |
| Cp,gas | 1265.78 | J/mol×K | 1086.34 | Joback Calculated Property |
| Cp,gas | 1278.81 | J/mol×K | 1121.69 | Joback Calculated Property |
| Cp,gas | 1290.79 | J/mol×K | 1157.04 | Joback Calculated Property |
Similar Compounds
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Sources
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