- InChI
- InChI=1S/C14H16F3NO4/c1-4-5-22-14(20)7(2)18-13(19)8-6-9(15)11(17)12(21-3)10(8)16/h6-7H,4-5H2,1-3H3,(H,18,19)
- InChI Key
- HQNVNSKHICGIDT-UHFFFAOYSA-N
- Formula
- C14H16F3NO4
- SMILES
-
CCCOC(=O)C(C)NC(=O)c1cc(F)c(F)
c(OC)c1F - Molecular Weight1
- 319.28
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -824.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1171.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 2.184 | Crippen Calculated Property | |
| McVol | 214.530 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | 1986.00 | NIST | |
| Tboil | 766.44 | K | Joback Calculated Property |
| Tc | 959.40 | K | Joback Calculated Property |
| Tfus | 507.79 | K | Joback Calculated Property |
| Vc | 0.843 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.27; 675.47] | J/mol×K | [766.44; 959.40] | 
|
| Cp,gas | 614.27 | J/mol×K | 766.44 | Joback Calculated Property |
| Cp,gas | 626.50 | J/mol×K | 798.60 | Joback Calculated Property |
| Cp,gas | 637.92 | J/mol×K | 830.76 | Joback Calculated Property |
| Cp,gas | 648.53 | J/mol×K | 862.92 | Joback Calculated Property |
| Cp,gas | 658.33 | J/mol×K | 895.08 | Joback Calculated Property |
| Cp,gas | 667.31 | J/mol×K | 927.24 | Joback Calculated Property |
| Cp,gas | 675.47 | J/mol×K | 959.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, propyl ester.
Sources
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