- InChI
- InChI=1S/C11H13NO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6H2,1-2H3
- InChI Key
- DULUKHADKMYILX-UHFFFAOYSA-N
- Formula
- C11H13NO2
- SMILES
- CCOc1cc(CC#N)ccc1OC
- Molecular Weight1
- 191.23
- CAS
- 103796-99-2
- 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° | 58.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.160 | Crippen Calculated Property | |
| McVol | 155.210 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Tboil | 634.64 | K | Joback Calculated Property |
| Tc | 850.55 | K | Joback Calculated Property |
| Tfus | 374.64 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.69; 445.54] | J/mol×K | [634.64; 850.55] | 
|
| Cp,gas | 380.69 | J/mol×K | 634.64 | Joback Calculated Property |
| Cp,gas | 393.20 | J/mol×K | 670.62 | Joback Calculated Property |
| Cp,gas | 405.04 | J/mol×K | 706.61 | Joback Calculated Property |
| Cp,gas | 416.20 | J/mol×K | 742.59 | Joback Calculated Property |
| Cp,gas | 426.67 | J/mol×K | 778.58 | Joback Calculated Property |
| Cp,gas | 436.45 | J/mol×K | 814.56 | Joback Calculated Property |
| Cp,gas | 445.54 | J/mol×K | 850.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethoxy-4-methoxyphenylacetonitrile.
Sources
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