- InChI
- InChI=1S/C13H11N/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8,14H2
- InChI Key
- NNHRVRJFHLVIIV-UHFFFAOYSA-N
- Formula
- C13H11N
- SMILES
- Nc1cccc2c1-c1ccccc1C2
- Molecular Weight1
- 181.23
- CAS
- 7083-63-8
- 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 | 0.5622 | Relay (1.0) Calculated Property | |
| ΔfG° | 413.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 218.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.25; 7.60] | eV |
|
| IE | 7.25 | eV | NIST |
| IE | 7.60 | eV | NIST |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.840 | Crippen Calculated Property | |
| McVol | 145.630 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | 325.11 | NIST | |
| Tboil | 616.15 | K | Relay (1.0) Calculated Property |
| Tc | 911.28 | K | Relay (1.0) Calculated Property |
| Tfus | 380.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.543 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.54; 427.91] | J/mol×K | [640.54; 896.04] |
|
| Cp,gas | 361.54 | J/mol×K | 640.54 | Joback Calculated Property |
| Cp,gas | 374.87 | J/mol×K | 683.12 | Joback Calculated Property |
| Cp,gas | 387.10 | J/mol×K | 725.71 | Joback Calculated Property |
| Cp,gas | 398.37 | J/mol×K | 768.29 | Joback Calculated Property |
| Cp,gas | 408.83 | J/mol×K | 810.88 | Joback Calculated Property |
| Cp,gas | 418.63 | J/mol×K | 853.46 | Joback Calculated Property |
| Cp,gas | 427.91 | J/mol×K | 896.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Aminofluorene.
Sources
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