- InChI
- InChI=1S/C16H12F2N2O2/c17-16(18)22-11-6-7-13-12(8-11)15(19-9-14(21)20-13)10-4-2-1-3-5-10/h1-8,16H,9H2,(H,20,21)
- InChI Key
- WMEDSEKKSZGVOM-UHFFFAOYSA-N
- Formula
- C16H12F2N2O2
- SMILES
-
O=C1CN=C(c2ccccc2)c2cc(OC(F)F)
ccc2N1 - Molecular Weight1
- 302.28
- CAS
- 55384-53-7
- 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).
- 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° | -61.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.078 | Crippen Calculated Property | |
| McVol | 204.560 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Tboil | 843.48 | K | Joback Calculated Property |
| Tc | 1104.23 | K | Joback Calculated Property |
| Tfus | 629.58 | K | Joback Calculated Property |
| Vc | 0.784 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.26; 676.61] | J/mol×K | [843.48; 1104.23] | 
|
| Cp,gas | 620.26 | J/mol×K | 843.48 | Joback Calculated Property |
| Cp,gas | 634.28 | J/mol×K | 886.94 | Joback Calculated Property |
| Cp,gas | 646.46 | J/mol×K | 930.40 | Joback Calculated Property |
| Cp,gas | 656.80 | J/mol×K | 973.86 | Joback Calculated Property |
| Cp,gas | 665.27 | J/mol×K | 1017.32 | Joback Calculated Property |
| Cp,gas | 671.88 | J/mol×K | 1060.77 | Joback Calculated Property |
| Cp,gas | 676.61 | J/mol×K | 1104.23 | Joback Calculated Property |
Similar Compounds
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Sources
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