- InChI
- InChI=1S/C14H16F3NO3/c1-2-21-12(19)8-9-18(13(20)14(15,16)17)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
- InChI Key
- BXWPXTDJOKUPKS-UHFFFAOYSA-N
- Formula
- C14H16F3NO3
- SMILES
-
CCOC(=O)CCN(Cc1ccccc1)C(=O)C(F
)(F)F - Molecular Weight1
- 303.28
- Other Names
-
- Ethyl 3-(N-trifluoroacetyl-N-benzylamino)propanoate
- 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° | -654.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.531 | Crippen Calculated Property | |
| McVol | 208.660 | ml/mol | McGowan Calculated Property |
| Pc | 1992.98 | kPa | Joback Calculated Property |
| Inp | 1747.00 | NIST | |
| Tboil | 683.58 | K | Joback Calculated Property |
| Tc | 874.66 | K | Joback Calculated Property |
| Tfus | 432.71 | K | Joback Calculated Property |
| Vc | 0.802 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.73; 648.99] | J/mol×K | [683.58; 874.66] | 
|
| Cp,gas | 579.73 | J/mol×K | 683.58 | Joback Calculated Property |
| Cp,gas | 593.41 | J/mol×K | 715.43 | Joback Calculated Property |
| Cp,gas | 606.18 | J/mol×K | 747.27 | Joback Calculated Property |
| Cp,gas | 618.07 | J/mol×K | 779.12 | Joback Calculated Property |
| Cp,gas | 629.14 | J/mol×K | 810.97 | Joback Calculated Property |
| Cp,gas | 639.43 | J/mol×K | 842.81 | Joback Calculated Property |
| Cp,gas | 648.99 | J/mol×K | 874.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl N-benzyl-N-(trifluoroacetyl)-«beta»-alaninate.
Sources
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