- InChI
- InChI=1S/C15H18F3NO3/c1-2-3-9-22-13(20)7-8-19-14(21)11-5-4-6-12(10-11)15(16,17)18/h4-6,10H,2-3,7-9H2,1H3,(H,19,21)
- InChI Key
- RQWSSIQMHUEKSH-UHFFFAOYSA-N
- Formula
- C15H18F3NO3
- SMILES
-
CCCCOC(=O)CCNC(=O)c1cccc(C(F)(
F)F)c1 - Molecular Weight1
- 317.30
- 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° | -676.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1028.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.169 | Crippen Calculated Property | |
| McVol | 222.750 | ml/mol | McGowan Calculated Property |
| Pc | 1832.54 | kPa | Joback Calculated Property |
| Inp | 2037.00 | NIST | |
| Tboil | 749.17 | K | Joback Calculated Property |
| Tc | 943.25 | K | Joback Calculated Property |
| Tfus | 476.69 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [646.88; 713.35] | J/mol×K | [749.17; 943.25] | 
|
| Cp,gas | 646.88 | J/mol×K | 749.17 | Joback Calculated Property |
| Cp,gas | 660.04 | J/mol×K | 781.52 | Joback Calculated Property |
| Cp,gas | 672.31 | J/mol×K | 813.86 | Joback Calculated Property |
| Cp,gas | 683.73 | J/mol×K | 846.21 | Joback Calculated Property |
| Cp,gas | 694.36 | J/mol×K | 878.55 | Joback Calculated Property |
| Cp,gas | 704.21 | J/mol×K | 910.90 | Joback Calculated Property |
| Cp,gas | 713.35 | J/mol×K | 943.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, butyl ester.
Sources
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