- InChI
- InChI=1S/C9H9NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,1-2H3
- InChI Key
- LBXGBNHUNHWYRM-UHFFFAOYSA-N
- Formula
- C9H9NO2
- SMILES
- COc1cccc(C#N)c1OC
- Molecular Weight1
- 163.17
- CAS
- 5653-62-3
- Other Names
-
- o-Veratronitrile
- 2,3-Dimethoxybenzonitrile
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 41.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 1.575 | Crippen Calculated Property | |
| McVol | 127.030 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Tboil | 588.88 | K | Joback Calculated Property |
| Tc | 812.66 | K | Joback Calculated Property |
| Tfus | 352.10 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.62; 342.45] | J/mol×K | [588.88; 812.66] | 
|
| Cp,gas | 286.62 | J/mol×K | 588.88 | Joback Calculated Property |
| Cp,gas | 297.31 | J/mol×K | 626.18 | Joback Calculated Property |
| Cp,gas | 307.47 | J/mol×K | 663.47 | Joback Calculated Property |
| Cp,gas | 317.07 | J/mol×K | 700.77 | Joback Calculated Property |
| Cp,gas | 326.11 | J/mol×K | 738.07 | Joback Calculated Property |
| Cp,gas | 334.58 | J/mol×K | 775.36 | Joback Calculated Property |
| Cp,gas | 342.45 | J/mol×K | 812.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 2,3-dimethoxy-.
Sources
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