- InChI
- InChI=1S/C9H8N2/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-7,11H
- InChI Key
- GUJAGMICFDYKNR-UHFFFAOYSA-N
- Formula
- C9H8N2
- SMILES
- C1=CNc2ccccc2C=N1
- Molecular Weight1
- 144.17
- CAS
- 12794-10-4
- 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° | 436.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 301.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.68 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.002 | Crippen Calculated Property | |
| McVol | 114.410 | ml/mol | McGowan Calculated Property |
| Pc | 4723.61 | kPa | Joback Calculated Property |
| Inp | 1589.00 | NIST | |
| Tboil | 557.50 | K | Joback Calculated Property |
| Tc | 824.48 | K | Joback Calculated Property |
| Tfus | 423.36 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.97; 333.89] | J/mol×K | [557.50; 824.48] | 
|
| Cp,gas | 259.97 | J/mol×K | 557.50 | Joback Calculated Property |
| Cp,gas | 275.21 | J/mol×K | 602.00 | Joback Calculated Property |
| Cp,gas | 289.23 | J/mol×K | 646.49 | Joback Calculated Property |
| Cp,gas | 302.07 | J/mol×K | 690.99 | Joback Calculated Property |
| Cp,gas | 313.76 | J/mol×K | 735.49 | Joback Calculated Property |
| Cp,gas | 324.35 | J/mol×K | 779.99 | Joback Calculated Property |
| Cp,gas | 333.89 | J/mol×K | 824.48 | Joback Calculated Property |
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Sources
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