- InChI
- InChI=1S/C15H13NO2/c1-17-14-8-5-9-15(13(14)10-16)18-11-12-6-3-2-4-7-12/h2-9H,11H2,1H3
- InChI Key
- IQODCSAPOJQTCB-UHFFFAOYSA-N
- Formula
- C15H13NO2
- SMILES
- COc1cccc(OCc2ccccc2)c1C#N
- Molecular Weight1
- 239.27
- CAS
- 167832-66-8
- 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° | 204.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 3.146 | Crippen Calculated Property | |
| McVol | 187.810 | ml/mol | McGowan Calculated Property |
| Pc | 2300.32 | kPa | Joback Calculated Property |
| Tboil | 752.84 | K | Joback Calculated Property |
| Tc | 993.83 | K | Joback Calculated Property |
| Tfus | 446.14 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.55; 562.40] | J/mol×K | [752.84; 993.83] | 
|
| Cp,gas | 498.55 | J/mol×K | 752.84 | Joback Calculated Property |
| Cp,gas | 511.89 | J/mol×K | 793.00 | Joback Calculated Property |
| Cp,gas | 524.12 | J/mol×K | 833.17 | Joback Calculated Property |
| Cp,gas | 535.26 | J/mol×K | 873.33 | Joback Calculated Property |
| Cp,gas | 545.34 | J/mol×K | 913.50 | Joback Calculated Property |
| Cp,gas | 554.38 | J/mol×K | 953.66 | Joback Calculated Property |
| Cp,gas | 562.40 | J/mol×K | 993.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Benzyloxy-6-methoxybenzonitrile.
Sources
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