- InChI
- InChI=1S/C14H11NO/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13/h1-9H,10H2
- InChI Key
- PCMQCXFXODBYGN-UHFFFAOYSA-N
- Formula
- C14H11NO
- SMILES
- N#CCc1ccccc1Oc1ccccc1
- Molecular Weight1
- 209.24
- CAS
- 25562-98-5
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5852 | Relay (1.0) Calculated Property | |
| ΔfG° | 310.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 171.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.545 | Crippen Calculated Property | |
| McVol | 167.850 | ml/mol | McGowan Calculated Property |
| Pc | 2611.07 | kPa | Joback Calculated Property |
| Tboil | 613.25 | K | Relay (1.0) Calculated Property |
| Tc | 881.08 | K | Relay (1.0) Calculated Property |
| Tfus | 345.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.599 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.31; 487.90] | J/mol×K | [702.56; 951.82] | 
|
| Cp,gas | 423.31 | J/mol×K | 702.56 | Joback Calculated Property |
| Cp,gas | 436.69 | J/mol×K | 744.10 | Joback Calculated Property |
| Cp,gas | 448.95 | J/mol×K | 785.65 | Joback Calculated Property |
| Cp,gas | 460.15 | J/mol×K | 827.19 | Joback Calculated Property |
| Cp,gas | 470.34 | J/mol×K | 868.73 | Joback Calculated Property |
| Cp,gas | 479.57 | J/mol×K | 910.27 | Joback Calculated Property |
| Cp,gas | 487.90 | J/mol×K | 951.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxyphenylacetonitrile.
Sources
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