- InChI
- InChI=1S/C16H19F4NO3/c1-3-4-5-8-24-15(23)10(2)21-14(22)11-6-7-12(13(17)9-11)16(18,19)20/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)
- InChI Key
- YCWCOBDSGWIVEX-UHFFFAOYSA-N
- Formula
- C16H19F4NO3
- SMILES
-
CCCCCOC(=O)C(C)NC(=O)c1ccc(C(F
)(F)F)c(F)c1 - Molecular Weight1
- 349.32
- 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 | 0.8009 | Relay (1.0) Calculated Property | |
| ΔfG° | -875.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1420.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 238.610 | ml/mol | McGowan Calculated Property |
| Pc | 1620.68 | kPa | Joback Calculated Property |
| Inp | 1988.00 | NIST | |
| Tboil | 588.96 | K | Relay (1.0) Calculated Property |
| Tc | 789.54 | K | Relay (1.0) Calculated Property |
| Tfus | 343.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.867 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.01; 775.31] | J/mol×K | [775.86; 967.32] | 
|
| Cp,gas | 709.01 | J/mol×K | 775.86 | Joback Calculated Property |
| Cp,gas | 722.14 | J/mol×K | 807.77 | Joback Calculated Property |
| Cp,gas | 734.40 | J/mol×K | 839.68 | Joback Calculated Property |
| Cp,gas | 745.80 | J/mol×K | 871.59 | Joback Calculated Property |
| Cp,gas | 756.40 | J/mol×K | 903.50 | Joback Calculated Property |
| Cp,gas | 766.23 | J/mol×K | 935.41 | Joback Calculated Property |
| Cp,gas | 775.31 | J/mol×K | 967.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(3-fluoro-4-trifluoromethylbenzoyl)-, pentyl ester.
Sources
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