- InChI
- InChI=1S/C17H11F2NO/c18-12-8-9-14(15(19)10-12)17(21)20-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,20,21)
- InChI Key
- HKIPQSKHXNESPB-UHFFFAOYSA-N
- Formula
- C17H11F2NO
- SMILES
-
O=C(Nc1cccc2ccccc12)c1ccc(F)cc
1F - Molecular Weight1
- 283.27
- 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 | 0.6696 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.370 | Crippen Calculated Property | |
| McVol | 198.500 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | 2467.00 | NIST | |
| Tboil | 669.17 | K | Relay (1.0) Calculated Property |
| Tc | 1003.17 | K | Relay (1.0) Calculated Property |
| Tfus | 435.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.13; 602.74] | J/mol×K | [778.22; 1015.71] | 
|
| Cp,gas | 541.13 | J/mol×K | 778.22 | Joback Calculated Property |
| Cp,gas | 553.59 | J/mol×K | 817.80 | Joback Calculated Property |
| Cp,gas | 565.04 | J/mol×K | 857.38 | Joback Calculated Property |
| Cp,gas | 575.59 | J/mol×K | 896.97 | Joback Calculated Property |
| Cp,gas | 585.32 | J/mol×K | 936.55 | Joback Calculated Property |
| Cp,gas | 594.34 | J/mol×K | 976.13 | Joback Calculated Property |
| Cp,gas | 602.74 | J/mol×K | 1015.71 | Joback Calculated Property |
Similar Compounds
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Sources
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