- InChI
- InChI=1S/C17H15F2NO3/c1-23-17(22)14(10-11-6-3-2-4-7-11)20-16(21)15-12(18)8-5-9-13(15)19/h2-9,14H,10H2,1H3,(H,20,21)
- InChI Key
- JAKBXLAQIOZZHD-UHFFFAOYSA-N
- Formula
- C17H15F2NO3
- SMILES
-
COC(=O)C(Cc1ccccc1)NC(=O)c1c(F
)cccc1F - Molecular Weight1
- 319.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6898 | Relay (1.0) Calculated Property | |
| ΔfG° | -367.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.479 | Crippen Calculated Property | |
| McVol | 225.400 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | 2216.00 | NIST | |
| Tboil | 625.57 | K | Relay (1.0) Calculated Property |
| Tc | 901.41 | K | Relay (1.0) Calculated Property |
| Tfus | 367.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.48; 711.79] | J/mol×K | [830.11; 1051.68] | 
|
| Cp,gas | 653.48 | J/mol×K | 830.11 | Joback Calculated Property |
| Cp,gas | 665.78 | J/mol×K | 867.04 | Joback Calculated Property |
| Cp,gas | 676.99 | J/mol×K | 903.97 | Joback Calculated Property |
| Cp,gas | 687.16 | J/mol×K | 940.90 | Joback Calculated Property |
| Cp,gas | 696.32 | J/mol×K | 977.82 | Joback Calculated Property |
| Cp,gas | 704.51 | J/mol×K | 1014.75 | Joback Calculated Property |
| Cp,gas | 711.79 | J/mol×K | 1051.68 | Joback Calculated Property |
Similar Compounds
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Sources
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