- InChI
- InChI=1S/C17H16FNO3/c1-22-17(21)15(11-12-7-3-2-4-8-12)19-16(20)13-9-5-6-10-14(13)18/h2-10,15H,11H2,1H3,(H,19,20)
- InChI Key
- KQZRZVKDBFBKIF-UHFFFAOYSA-N
- Formula
- C17H16FNO3
- SMILES
-
COC(=O)C(Cc1ccccc1)NC(=O)c1ccc
cc1F - Molecular Weight1
- 301.31
- 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° | -163.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 2.340 | Crippen Calculated Property | |
| McVol | 223.630 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | 2203.00 | NIST | |
| Tboil | 825.86 | K | Joback Calculated Property |
| Tc | 1054.31 | K | Joback Calculated Property |
| Tfus | 507.05 | K | Joback Calculated Property |
| Vc | 0.849 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.33; 708.50] | J/mol×K | [825.86; 1054.31] | 
|
| Cp,gas | 647.33 | J/mol×K | 825.86 | Joback Calculated Property |
| Cp,gas | 660.26 | J/mol×K | 863.94 | Joback Calculated Property |
| Cp,gas | 672.02 | J/mol×K | 902.01 | Joback Calculated Property |
| Cp,gas | 682.68 | J/mol×K | 940.09 | Joback Calculated Property |
| Cp,gas | 692.27 | J/mol×K | 978.16 | Joback Calculated Property |
| Cp,gas | 700.86 | J/mol×K | 1016.24 | Joback Calculated Property |
| Cp,gas | 708.50 | J/mol×K | 1054.31 | Joback Calculated Property |
Similar Compounds
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Sources
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