- InChI
- InChI=1S/C25H40FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-30-24(28)19-20-27-25(29)22-15-17-23(26)18-16-22/h15-18H,2-14,19-21H2,1H3,(H,27,29)
- InChI Key
- WSGJHBJRCRTBRA-UHFFFAOYSA-N
- Formula
- C25H40FNO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)c
1ccc(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 | 1.1821 | Relay (1.0) Calculated Property | |
| ΔfG° | -205.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.580 | Crippen Calculated Property | |
| McVol | 360.110 | ml/mol | McGowan Calculated Property |
| Pc | 961.48 | kPa | Joback Calculated Property |
| Tboil | 689.59 | K | Relay (1.0) Calculated Property |
| Tc | 902.94 | K | Relay (1.0) Calculated Property |
| Tfus | 342.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.345 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1219.80; 1303.15] | J/mol×K | [982.66; 1204.27] | 
|
| Cp,gas | 1219.80 | J/mol×K | 982.66 | Joback Calculated Property |
| Cp,gas | 1236.96 | J/mol×K | 1019.60 | Joback Calculated Property |
| Cp,gas | 1252.72 | J/mol×K | 1056.53 | Joback Calculated Property |
| Cp,gas | 1267.15 | J/mol×K | 1093.47 | Joback Calculated Property |
| Cp,gas | 1280.31 | J/mol×K | 1130.40 | Joback Calculated Property |
| Cp,gas | 1292.29 | J/mol×K | 1167.34 | Joback Calculated Property |
| Cp,gas | 1303.15 | J/mol×K | 1204.27 | Joback Calculated Property |
Similar Compounds
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Sources
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