- InChI
- InChI=1S/C18H12F3NO/c19-18(20,21)14-10-8-13(9-11-14)17(23)22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,22,23)
- InChI Key
- VTQWFZDQZXMBKH-UHFFFAOYSA-N
- Formula
- C18H12F3NO
- SMILES
-
O=C(Nc1cccc2ccccc12)c1ccc(C(F)
(F)F)cc1 - Molecular Weight1
- 315.29
- 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 | 0.6819 | Relay (1.0) Calculated Property | |
| ΔfG° | -208.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.111 | Crippen Calculated Property | |
| McVol | 214.360 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Inp | 2382.00 | NIST | |
| Tboil | 677.94 | K | Relay (1.0) Calculated Property |
| Tc | 989.25 | K | Relay (1.0) Calculated Property |
| Tfus | 441.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.769 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [605.95; 668.66] | J/mol×K | [792.16; 1027.03] | 
|
| Cp,gas | 605.95 | J/mol×K | 792.16 | Joback Calculated Property |
| Cp,gas | 618.52 | J/mol×K | 831.31 | Joback Calculated Property |
| Cp,gas | 630.06 | J/mol×K | 870.45 | Joback Calculated Property |
| Cp,gas | 640.71 | J/mol×K | 909.60 | Joback Calculated Property |
| Cp,gas | 650.60 | J/mol×K | 948.74 | Joback Calculated Property |
| Cp,gas | 659.88 | J/mol×K | 987.89 | Joback Calculated Property |
| Cp,gas | 668.66 | J/mol×K | 1027.03 | Joback Calculated Property |
Similar Compounds
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Sources
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