- InChI
- InChI=1S/C9H9NO2/c1-12-8-4-2-3-7(5-6-10)9(8)11/h2-4,11H,5H2,1H3
- InChI Key
- HGPGOFBJMBBPAX-UHFFFAOYSA-N
- Formula
- C9H9NO2
- SMILES
- COc1cccc(CC#N)c1O
- Molecular Weight1
- 163.17
- CAS
- 42973-56-8
- 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 | 0.6537 | Relay (1.0) Calculated Property | |
| ΔfG° | 1.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.467 | Crippen Calculated Property | |
| McVol | 127.030 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Tboil | 577.39 | K | Relay (1.0) Calculated Property |
| Tc | 809.10 | K | Relay (1.0) Calculated Property |
| Tfus | 373.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.27; 358.55] | J/mol×K | [642.10; 877.45] | 
|
| Cp,gas | 308.27 | J/mol×K | 642.10 | Joback Calculated Property |
| Cp,gas | 317.99 | J/mol×K | 681.33 | Joback Calculated Property |
| Cp,gas | 327.09 | J/mol×K | 720.55 | Joback Calculated Property |
| Cp,gas | 335.63 | J/mol×K | 759.78 | Joback Calculated Property |
| Cp,gas | 343.69 | J/mol×K | 799.00 | Joback Calculated Property |
| Cp,gas | 351.31 | J/mol×K | 838.23 | Joback Calculated Property |
| Cp,gas | 358.55 | J/mol×K | 877.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-3-methoxyphenylacetonitrile.
Sources
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