- InChI
- InChI=1S/C14H16F3NO3/c1-2-8-21-12(19)6-7-18-13(20)10-4-3-5-11(9-10)14(15,16)17/h3-5,9H,2,6-8H2,1H3,(H,18,20)
- InChI Key
- VDZVFBGKQYVOPY-UHFFFAOYSA-N
- Formula
- C14H16F3NO3
- SMILES
-
CCCOC(=O)CCNC(=O)c1cccc(C(F)(F
)F)c1 - Molecular Weight1
- 303.28
- 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° | -685.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1008.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 2.778 | Crippen Calculated Property | |
| McVol | 208.660 | ml/mol | McGowan Calculated Property |
| Pc | 1992.98 | kPa | Joback Calculated Property |
| Inp | 1937.00 | NIST | |
| Tboil | 726.29 | K | Joback Calculated Property |
| Tc | 921.44 | K | Joback Calculated Property |
| Tfus | 465.42 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.07; 657.52] | J/mol×K | [726.29; 921.44] | 
|
| Cp,gas | 593.07 | J/mol×K | 726.29 | Joback Calculated Property |
| Cp,gas | 605.84 | J/mol×K | 758.82 | Joback Calculated Property |
| Cp,gas | 617.75 | J/mol×K | 791.34 | Joback Calculated Property |
| Cp,gas | 628.84 | J/mol×K | 823.87 | Joback Calculated Property |
| Cp,gas | 639.14 | J/mol×K | 856.39 | Joback Calculated Property |
| Cp,gas | 648.68 | J/mol×K | 888.92 | Joback Calculated Property |
| Cp,gas | 657.52 | J/mol×K | 921.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, propyl ester.
Sources
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