- InChI
- InChI=1S/C10H11NO/c1-8-7-9(5-6-11)3-4-10(8)12-2/h3-4,7H,5H2,1-2H3
- InChI Key
- QOMACJMHUFTRJI-UHFFFAOYSA-N
- Formula
- C10H11NO
- SMILES
- COc1ccc(CC#N)cc1C
- Molecular Weight1
- 161.20
- CAS
- 75391-57-0
- 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° | 154.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.070 | Crippen Calculated Property | |
| McVol | 135.250 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Tboil | 589.34 | K | Joback Calculated Property |
| Tc | 811.87 | K | Joback Calculated Property |
| Tfus | 341.14 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.79; 370.99] | J/mol×K | [589.34; 811.87] | 
|
| Cp,gas | 309.79 | J/mol×K | 589.34 | Joback Calculated Property |
| Cp,gas | 321.57 | J/mol×K | 626.43 | Joback Calculated Property |
| Cp,gas | 332.71 | J/mol×K | 663.52 | Joback Calculated Property |
| Cp,gas | 343.21 | J/mol×K | 700.61 | Joback Calculated Property |
| Cp,gas | 353.09 | J/mol×K | 737.69 | Joback Calculated Property |
| Cp,gas | 362.34 | J/mol×K | 774.78 | Joback Calculated Property |
| Cp,gas | 370.99 | J/mol×K | 811.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxy-3-methylphenylacetonitrile.
Sources
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