- InChI
- InChI=1S/C25H39F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-31-23(29)18-19-28-25(30)24-21(26)16-15-17-22(24)27/h15-17H,2-14,18-20H2,1H3,(H,28,30)
- InChI Key
- LURMHQOIYFPPNG-UHFFFAOYSA-N
- Formula
- C25H39F2NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)c
1c(F)cccc1F - Molecular Weight1
- 439.58
- 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 | 1.2001 | Relay (1.0) Calculated Property | |
| ΔfG° | -410.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1116.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.719 | Crippen Calculated Property | |
| McVol | 361.880 | ml/mol | McGowan Calculated Property |
| Pc | 926.68 | kPa | Joback Calculated Property |
| Tboil | 677.29 | K | Relay (1.0) Calculated Property |
| Tc | 904.30 | K | Relay (1.0) Calculated Property |
| Tfus | 353.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.353 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1225.94; 1307.72] | J/mol×K | [986.91; 1211.39] | 
|
| Cp,gas | 1225.94 | J/mol×K | 986.91 | Joback Calculated Property |
| Cp,gas | 1242.97 | J/mol×K | 1024.32 | Joback Calculated Property |
| Cp,gas | 1258.56 | J/mol×K | 1061.74 | Joback Calculated Property |
| Cp,gas | 1272.77 | J/mol×K | 1099.15 | Joback Calculated Property |
| Cp,gas | 1285.65 | J/mol×K | 1136.57 | Joback Calculated Property |
| Cp,gas | 1297.28 | J/mol×K | 1173.98 | Joback Calculated Property |
| Cp,gas | 1307.72 | J/mol×K | 1211.39 | Joback Calculated Property |
Similar Compounds
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Sources
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