- InChI
- InChI=1S/C18H10F3NO/c19-18(20,21)17(23)22-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,(H,22,23)
- InChI Key
- IDPMQFBEJUQEGX-UHFFFAOYSA-N
- Formula
- C18H10F3NO
- SMILES
-
O=C(Nc1ccc2ccc3cccc4ccc1c2c34)
C(F)(F)F - Molecular Weight1
- 313.27
- 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 | 0.6632 | Relay (... Calculated Property | |
| ΔfG° | -122.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.31 | kJ/mol | Relay (... Calculated Property |
| IE | 7.66 | eV | Relay (... Calculated Property |
| log10WS | -4.59 | Relay (... Calculated Property | |
| logPoct/wat | 5.085 | Crippen Calculated Property | |
| McVol | 203.500 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | [413.68; 413.72] |
|
|
| Inp | 413.68 | NIST | |
| Inp | 413.72 | NIST | |
| Tboil | 712.67 | K | Relay (... Calculated Property |
| Tc | 1021.58 | K | Relay (... Calculated Property |
| Tfus | 431.01 | K | Relay (... Calculated Property |
| Vc | 0.750 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.35; 632.37] | J/mol×K | [800.72; 1031.37] |
|
| Cp,gas | 572.35 | J/mol×K | 800.72 | Joback Calculated Property |
| Cp,gas | 583.11 | J/mol×K | 839.16 | Joback Calculated Property |
| Cp,gas | 593.32 | J/mol×K | 877.60 | Joback Calculated Property |
| Cp,gas | 603.16 | J/mol×K | 916.05 | Joback Calculated Property |
| Cp,gas | 612.83 | J/mol×K | 954.49 | Joback Calculated Property |
| Cp,gas | 622.50 | J/mol×K | 992.93 | Joback Calculated Property |
| Cp,gas | 632.37 | J/mol×K | 1031.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Aminopyrene, TFA.
Sources
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