- InChI
- InChI=1S/C25H37F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-33-24(32)19(2)30-23(31)21-18-20(25(27,28)29)15-16-22(21)26/h15-16,18-19H,3-14,17H2,1-2H3,(H,30,31)
- InChI Key
- WTAGEOCMIROYDT-UHFFFAOYSA-N
- Formula
- C25H37F4NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)
c1cc(C(F)(F)F)ccc1F - Molecular Weight1
- 475.56
- 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 | 1.1391 | Relay (1.0) Calculated Property | |
| ΔfG° | -799.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1593.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.207 | Crippen Calculated Property | |
| McVol | 365.420 | ml/mol | McGowan Calculated Property |
| Pc | 892.13 | kPa | Joback Calculated Property |
| Inp | 2818.00 | NIST | |
| Tboil | 663.42 | K | Relay (1.0) Calculated Property |
| Tc | 884.17 | K | Relay (1.0) Calculated Property |
| Tfus | 373.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.352 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1239.87; 1322.14] | J/mol×K | [981.78; 1205.47] | 
|
| Cp,gas | 1239.87 | J/mol×K | 981.78 | Joback Calculated Property |
| Cp,gas | 1256.59 | J/mol×K | 1019.06 | Joback Calculated Property |
| Cp,gas | 1271.99 | J/mol×K | 1056.34 | Joback Calculated Property |
| Cp,gas | 1286.15 | J/mol×K | 1093.63 | Joback Calculated Property |
| Cp,gas | 1299.17 | J/mol×K | 1130.91 | Joback Calculated Property |
| Cp,gas | 1311.13 | J/mol×K | 1168.19 | Joback Calculated Property |
| Cp,gas | 1322.14 | J/mol×K | 1205.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester.
Sources
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