- InChI
- InChI=1S/C18H16F3NO3/c1-25-17(24)15(11-12-7-3-2-4-8-12)22-16(23)13-9-5-6-10-14(13)18(19,20)21/h2-10,15H,11H2,1H3,(H,22,23)
- InChI Key
- DFYVDBGYKDQXTB-UHFFFAOYSA-N
- Formula
- C18H16F3NO3
- SMILES
-
COC(=O)C(Cc1ccccc1)NC(=O)c1ccc
cc1C(F)(F)F - Molecular Weight1
- 351.32
- 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° | -541.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.08 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 3.219 | Crippen Calculated Property | |
| McVol | 241.260 | ml/mol | McGowan Calculated Property |
| Pc | 1915.26 | kPa | Joback Calculated Property |
| Inp | [2181.00; 2181.00] |
|
|
| Inp | 2181.00 | NIST | |
| Inp | 2181.00 | NIST | |
| Tboil | 844.05 | K | Joback Calculated Property |
| Tc | 1064.30 | K | Joback Calculated Property |
| Tfus | 521.92 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.35; 778.42] | J/mol×K | [844.05; 1064.30] |
|
| Cp,gas | 719.35 | J/mol×K | 844.05 | Joback Calculated Property |
| Cp,gas | 731.65 | J/mol×K | 880.76 | Joback Calculated Property |
| Cp,gas | 742.86 | J/mol×K | 917.47 | Joback Calculated Property |
| Cp,gas | 753.07 | J/mol×K | 954.17 | Joback Calculated Property |
| Cp,gas | 762.35 | J/mol×K | 990.88 | Joback Calculated Property |
| Cp,gas | 770.78 | J/mol×K | 1027.59 | Joback Calculated Property |
| Cp,gas | 778.42 | J/mol×K | 1064.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, N-(2-trifluoromethylbenzoyl)-, methyl ester.
Sources
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