- InChI
- InChI=1S/C16H15N/c1-12-7-3-5-9-14(12)16(11-17)15-10-6-4-8-13(15)2/h3-10,16H,1-2H3
- InChI Key
- KDKUNNHFMPKKTB-UHFFFAOYSA-N
- Formula
- C16H15N
- SMILES
- Cc1ccccc1C(C#N)c1ccccc1C
- Molecular Weight1
- 221.30
- CAS
- 116296-33-4
- 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).
- 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° | 420.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 236.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 3.959 | Crippen Calculated Property | |
| McVol | 190.160 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Tboil | 730.44 | K | Joback Calculated Property |
| Tc | 978.73 | K | Joback Calculated Property |
| Tfus | 397.95 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.06; 574.01] | J/mol×K | [730.44; 978.73] | 
|
| Cp,gas | 501.06 | J/mol×K | 730.44 | Joback Calculated Property |
| Cp,gas | 515.93 | J/mol×K | 771.82 | Joback Calculated Property |
| Cp,gas | 529.61 | J/mol×K | 813.20 | Joback Calculated Property |
| Cp,gas | 542.19 | J/mol×K | 854.58 | Joback Calculated Property |
| Cp,gas | 553.73 | J/mol×K | 895.97 | Joback Calculated Property |
| Cp,gas | 564.31 | J/mol×K | 937.35 | Joback Calculated Property |
| Cp,gas | 574.01 | J/mol×K | 978.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Di-o-tolyl-cyano-methane.
Sources
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