- InChI
- InChI=1S/C9H9NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2H2
- InChI Key
- KDMJGLYRWRHKJS-UHFFFAOYSA-N
- Formula
- C9H9NO
- SMILES
- N#CCCc1ccc(O)cc1
- Molecular Weight1
- 147.17
- CAS
- 17362-17-3
- Other Names
-
- «beta»-(4-Hydroxyphenyl)propionitrile
- Benzenepropanenitrile, 4-hydroxy-
- 3-(p-Hydroxyphenyl)propiononitrile
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6348 | Relay (... Calculated Property | |
| ΔfG° | 115.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 18.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.79 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -1.39 | Relay (... Calculated Property | |
| logPoct/wat | 1.848 | Crippen Calculated Property | |
| McVol | 121.160 | ml/mol | McGowan Calculated Property |
| Pc | 3777.68 | kPa | Joback Calculated Property |
| Inp | 1569.80 | NIST | |
| Tboil | 584.38 | K | Relay (... Calculated Property |
| Tc | 819.27 | K | Relay (... Calculated Property |
| Tfus | 358.57 | K | Relay (... Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.94; 338.79] | J/mol×K | [614.70; 852.69] | 
|
| Cp,gas | 287.94 | J/mol×K | 614.70 | Joback Calculated Property |
| Cp,gas | 297.96 | J/mol×K | 654.37 | Joback Calculated Property |
| Cp,gas | 307.23 | J/mol×K | 694.03 | Joback Calculated Property |
| Cp,gas | 315.86 | J/mol×K | 733.70 | Joback Calculated Property |
| Cp,gas | 323.93 | J/mol×K | 773.36 | Joback Calculated Property |
| Cp,gas | 331.55 | J/mol×K | 813.03 | Joback Calculated Property |
| Cp,gas | 338.79 | J/mol×K | 852.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(4-Hydroxyphenyl)propionitrile.
Sources
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