- InChI
- InChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2
- InChI Key
- VHGJAFIHUSTRGB-UHFFFAOYSA-N
- Formula
- C16H11N
- SMILES
- Nc1ccc2c3c(cccc13)-c1ccccc1-2
- Molecular Weight1
- 217.27
- CAS
- 2693-46-1
- Other Names
-
- 3-Aminofluoranthene
- 4-Aminofluoranthene
- 4-Fluoranthenamine
- fluoranthen-3-ylamine
- 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 | 0.6383 | Relay (1.0) Calculated Property | |
| ΔfG° | 548.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 284.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.069 | Crippen Calculated Property | |
| McVol | 168.440 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Inp | [409.97; 409.97] |
|
|
| Inp | 409.97 | NIST | |
| Inp | 409.97 | NIST | |
| Inp | 409.97 | NIST | |
| Tboil | 703.16 | K | Relay (1.0) Calculated Property |
| Tc | 1023.18 | K | Relay (1.0) Calculated Property |
| Tfus | 407.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.67; 506.18] | J/mol×K | [728.87; 990.34] |
|
| Cp,gas | 440.67 | J/mol×K | 728.87 | Joback Calculated Property |
| Cp,gas | 452.92 | J/mol×K | 772.45 | Joback Calculated Property |
| Cp,gas | 464.34 | J/mol×K | 816.03 | Joback Calculated Property |
| Cp,gas | 475.16 | J/mol×K | 859.60 | Joback Calculated Property |
| Cp,gas | 485.60 | J/mol×K | 903.18 | Joback Calculated Property |
| Cp,gas | 495.86 | J/mol×K | 946.76 | Joback Calculated Property |
| Cp,gas | 506.18 | J/mol×K | 990.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoranthenamine.
Sources
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