- InChI
- InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
- InChI Key
- SGHBRHKBCLLVCI-UHFFFAOYSA-N
- Formula
- C7H5NO
- SMILES
- N#Cc1cccc(O)c1
- Molecular Weight1
- 119.12
- CAS
- 873-62-1
- Other Names
-
- Benzonitrile, m-hydroxy-
- m-Cyanophenol
- m-Hydroxybenzonitrile
- 3-Cyanophenol
- 3-Hydroxybenzonitrile
- 3-Hydroxybenzoic 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).
- 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 | 0.5341 | Relay (1.0) Calculated Property | |
| ΔfG° | 99.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 48.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 ± 0.05 | eV | NIST |
| log10WS | -0.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.264 | Crippen Calculated Property | |
| McVol | 92.980 | ml/mol | McGowan Calculated Property |
| Pc | 4856.20 | kPa | Joback Calculated Property |
| Tboil | 536.95 | K | Relay (1.0) Calculated Property |
| Tc | 797.33 | K | Relay (1.0) Calculated Property |
| Tfus | 366.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.323 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.90; 238.57] | J/mol×K | [568.94; 817.38] | 
|
| Cp,gas | 199.90 | J/mol×K | 568.94 | Joback Calculated Property |
| Cp,gas | 207.76 | J/mol×K | 610.35 | Joback Calculated Property |
| Cp,gas | 214.93 | J/mol×K | 651.75 | Joback Calculated Property |
| Cp,gas | 221.50 | J/mol×K | 693.16 | Joback Calculated Property |
| Cp,gas | 227.57 | J/mol×K | 734.57 | Joback Calculated Property |
| Cp,gas | 233.22 | J/mol×K | 775.98 | Joback Calculated Property |
| Cp,gas | 238.57 | J/mol×K | 817.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 3-hydroxy-.
Sources
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