- InChI
- InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H,(H,20,21)
- InChI Key
- RINIEHZRJIGSRV-UHFFFAOYSA-N
- Formula
- C16H10F3NO
- SMILES
-
O=C(Nc1cccc2c1ccc1ccccc12)C(F)
(F)F - Molecular Weight1
- 289.25
- 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 | 0.5844 | Relay (... Calculated Property | |
| ΔfG° | -230.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -606.55 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -4.26 | Relay (... Calculated Property | |
| logPoct/wat | 4.494 | Crippen Calculated Property | |
| McVol | 190.480 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | [366.20; 366.92] |
|
|
| Inp | 366.92 | NIST | |
| Inp | 366.20 | NIST | |
| Inp | 366.92 | NIST | |
| Tboil | 667.59 | K | Relay (... Calculated Property |
| Tc | 936.42 | K | Relay (... Calculated Property |
| Tfus | 423.18 | K | Relay (... Calculated Property |
| Vc | 0.678 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.97; 580.05] | J/mol×K | [738.70; 966.83] |
|
| Cp,gas | 520.97 | J/mol×K | 738.70 | Joback Calculated Property |
| Cp,gas | 532.68 | J/mol×K | 776.72 | Joback Calculated Property |
| Cp,gas | 543.46 | J/mol×K | 814.74 | Joback Calculated Property |
| Cp,gas | 553.45 | J/mol×K | 852.76 | Joback Calculated Property |
| Cp,gas | 562.79 | J/mol×K | 890.79 | Joback Calculated Property |
| Cp,gas | 571.61 | J/mol×K | 928.81 | Joback Calculated Property |
| Cp,gas | 580.05 | J/mol×K | 966.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Aminophenanthrene TFA.
Sources
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