- InChI
- InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
- InChI Key
- AYKYOOPFBCOXSL-UHFFFAOYSA-N
- Formula
- C8H7NO
- SMILES
- N#CCc1ccc(O)cc1
- Molecular Weight1
- 133.15
- CAS
- 14191-95-8
- Other Names
-
- Acetonitrile, (p-hydroxyphenyl)-
- (4-Hydroxyphenyl)acetonitrile
- p-Hydroxybenzyl cyanide
- p-Hydroxyphenylacetonitrile
- 4-Hydroxybenzyl cyanide
- 4-Hydroxyphenylacetic acid nitrile
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5985 | Relay (1.0) Calculated Property | |
| ΔfG° | 107.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 33.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 ± 0.05 | eV | NIST |
| log10WS | -1.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.458 | Crippen Calculated Property | |
| McVol | 107.070 | ml/mol | McGowan Calculated Property |
| Pc | 4266.28 | kPa | Joback Calculated Property |
| Tboil | 603.20 | K | NIST |
| Tc | 807.04 | K | Relay (1.0) Calculated Property |
| Tfus | 371.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.07; 288.17] | J/mol×K | [591.82; 834.93] | 
|
| Cp,gas | 243.07 | J/mol×K | 591.82 | Joback Calculated Property |
| Cp,gas | 252.07 | J/mol×K | 632.34 | Joback Calculated Property |
| Cp,gas | 260.36 | J/mol×K | 672.86 | Joback Calculated Property |
| Cp,gas | 268.02 | J/mol×K | 713.37 | Joback Calculated Property |
| Cp,gas | 275.14 | J/mol×K | 753.89 | Joback Calculated Property |
| Cp,gas | 281.83 | J/mol×K | 794.41 | Joback Calculated Property |
| Cp,gas | 288.17 | J/mol×K | 834.93 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 603.20 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetonitrile, 4-hydroxy-.
Sources
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