- InChI
- InChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2
- InChI Key
- WDTRNCFZFQIWLM-UHFFFAOYSA-N
- Formula
- C13H13N
- SMILES
- Nc1ccc(Cc2ccccc2)cc1
- Molecular Weight1
- 183.25
- CAS
- 1135-12-2
- 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).
- 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 | 0.5495 | Relay (1.0) Calculated Property | |
| ΔfG° | 340.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 204.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 ± 0.05 | eV | NIST |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.860 | Crippen Calculated Property | |
| McVol | 156.490 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Tboil | 601.72 | K | Relay (1.0) Calculated Property |
| Tc | 854.32 | K | Relay (1.0) Calculated Property |
| Tfus | 326.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.23; 461.44] | J/mol×K | [627.71; 880.71] | 
|
| Cp,gas | 384.23 | J/mol×K | 627.71 | Joback Calculated Property |
| Cp,gas | 400.02 | J/mol×K | 669.88 | Joback Calculated Property |
| Cp,gas | 414.54 | J/mol×K | 712.04 | Joback Calculated Property |
| Cp,gas | 427.85 | J/mol×K | 754.21 | Joback Calculated Property |
| Cp,gas | 440.06 | J/mol×K | 796.37 | Joback Calculated Property |
| Cp,gas | 451.22 | J/mol×K | 838.54 | Joback Calculated Property |
| Cp,gas | 461.44 | J/mol×K | 880.71 | Joback Calculated Property |
Similar Compounds
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Sources
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