- InChI
- InChI=1S/C15H13NO/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h1-8,11H,9,12H2
- InChI Key
- CKZFVIPFANUBDW-UHFFFAOYSA-N
- Formula
- C15H13NO
- SMILES
- N#CCc1cccc(OCc2ccccc2)c1
- Molecular Weight1
- 223.27
- CAS
- 20967-96-8
- Other Names
-
- Benzeneacetonitrile, 3-(phenylmethoxy)-
- 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° | 318.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 3.332 | Crippen Calculated Property | |
| McVol | 181.940 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Tboil | 725.44 | K | Joback Calculated Property |
| Tc | 969.36 | K | Joback Calculated Property |
| Tfus | 411.39 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.74; 542.06] | J/mol×K | [725.44; 969.36] | 
|
| Cp,gas | 474.74 | J/mol×K | 725.44 | Joback Calculated Property |
| Cp,gas | 488.60 | J/mol×K | 766.09 | Joback Calculated Property |
| Cp,gas | 501.34 | J/mol×K | 806.75 | Joback Calculated Property |
| Cp,gas | 513.00 | J/mol×K | 847.40 | Joback Calculated Property |
| Cp,gas | 523.64 | J/mol×K | 888.05 | Joback Calculated Property |
| Cp,gas | 533.30 | J/mol×K | 928.70 | Joback Calculated Property |
| Cp,gas | 542.06 | J/mol×K | 969.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Benzyloxyphenylacetonitrile.
Sources
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