- InChI
- InChI=1S/C15H12ClN3/c16-11-6-7-13-12(8-11)15(18-9-14(17)19-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,19)
- InChI Key
- UMBZDAJGYNJMGS-UHFFFAOYSA-N
- Formula
- C15H12ClN3
- SMILES
-
NC1=Nc2ccc(Cl)cc2C(c2ccccc2)=N
C1 - Molecular Weight1
- 269.73
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 653.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 430.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 3.180 | Crippen Calculated Property | |
| McVol | 197.410 | ml/mol | McGowan Calculated Property |
| Pc | 3269.04 | kPa | Joback Calculated Property |
| Inp | 2452.00 | NIST | |
| Tboil | 851.51 | K | Joback Calculated Property |
| Tc | 1144.07 | K | Joback Calculated Property |
| Tfus | 634.65 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.30; 629.75] | J/mol×K | [851.51; 1144.07] | 
|
| Cp,gas | 576.30 | J/mol×K | 851.51 | Joback Calculated Property |
| Cp,gas | 589.83 | J/mol×K | 900.27 | Joback Calculated Property |
| Cp,gas | 601.42 | J/mol×K | 949.03 | Joback Calculated Property |
| Cp,gas | 611.14 | J/mol×K | 997.79 | Joback Calculated Property |
| Cp,gas | 619.06 | J/mol×K | 1046.55 | Joback Calculated Property |
| Cp,gas | 625.24 | J/mol×K | 1095.31 | Joback Calculated Property |
| Cp,gas | 629.75 | J/mol×K | 1144.07 | Joback Calculated Property |
Similar Compounds
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Sources
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