- InChI
- InChI=1S/C27H41F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-26(34)21(2)32-25(33)24-22(27(29,30)31)18-17-19-23(24)28/h17-19,21H,3-16,20H2,1-2H3,(H,32,33)
- InChI Key
- REDBTYADOAORCN-UHFFFAOYSA-N
- Formula
- C27H41F4NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=
O)c1c(F)cccc1C(F)(F)F - Molecular Weight1
- 503.61
- 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 | 1.2095 | Relay (1.0) Calculated Property | |
| ΔfG° | -782.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1605.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.987 | Crippen Calculated Property | |
| McVol | 393.600 | ml/mol | McGowan Calculated Property |
| Pc | 797.98 | kPa | Joback Calculated Property |
| Inp | 3118.00 | NIST | |
| Tboil | 674.16 | K | Relay (1.0) Calculated Property |
| Tc | 896.65 | K | Relay (1.0) Calculated Property |
| Tfus | 364.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.457 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1364.57; 1451.83] | J/mol×K | [1027.54; 1269.63] | 
|
| Cp,gas | 1364.57 | J/mol×K | 1027.54 | Joback Calculated Property |
| Cp,gas | 1382.49 | J/mol×K | 1067.89 | Joback Calculated Property |
| Cp,gas | 1398.90 | J/mol×K | 1108.24 | Joback Calculated Property |
| Cp,gas | 1413.91 | J/mol×K | 1148.58 | Joback Calculated Property |
| Cp,gas | 1427.65 | J/mol×K | 1188.93 | Joback Calculated Property |
| Cp,gas | 1440.25 | J/mol×K | 1229.28 | Joback Calculated Property |
| Cp,gas | 1451.83 | J/mol×K | 1269.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, hexadecyl ester.
Sources
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