- InChI
- InChI=1S/C20H12F3NO/c21-20(22,23)19(25)24-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,(H,24,25)
- InChI Key
- LJGJMCASWROFLL-UHFFFAOYSA-N
- Formula
- C20H12F3NO
- SMILES
-
O=C(Nc1cc2c3ccccc3ccc2c2ccccc1
2)C(F)(F)F - Molecular Weight1
- 339.31
- 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 | 0.6580 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.647 | Crippen Calculated Property | |
| McVol | 227.380 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Inp | 443.06 | NIST | |
| Tboil | 749.29 | K | Relay (1.0) Calculated Property |
| Tc | 1050.13 | K | Relay (1.0) Calculated Property |
| Tfus | 482.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.814 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.72; 724.35] | J/mol×K | [854.18; 1091.34] | 
|
| Cp,gas | 658.72 | J/mol×K | 854.18 | Joback Calculated Property |
| Cp,gas | 670.47 | J/mol×K | 893.71 | Joback Calculated Property |
| Cp,gas | 681.65 | J/mol×K | 933.23 | Joback Calculated Property |
| Cp,gas | 692.43 | J/mol×K | 972.76 | Joback Calculated Property |
| Cp,gas | 703.02 | J/mol×K | 1012.28 | Joback Calculated Property |
| Cp,gas | 713.60 | J/mol×K | 1051.81 | Joback Calculated Property |
| Cp,gas | 724.35 | J/mol×K | 1091.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Aminochrysene TFA.
Sources
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