- InChI
- InChI=1S/C11H11NO2/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3
- InChI Key
- YCYITKXAJQLLDP-UHFFFAOYSA-N
- Formula
- C11H11NO2
- SMILES
- CC(C)C(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 189.21
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5805 | Relay (... Calculated Property | |
| ΔfG° | 41.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.86 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.06 | kJ/mol | Relay (... Calculated Property |
| IE | 9.26 | eV | Relay (... Calculated Property |
| log10WS | -2.84 | Relay (... Calculated Property | |
| logPoct/wat | 2.120 | Crippen Calculated Property | |
| McVol | 150.910 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | [1469.00; 1469.00] |
|
|
| Inp | 1469.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Tboil | 549.02 | K | Relay (... Calculated Property |
| Tc | 764.45 | K | Relay (... Calculated Property |
| Tfus | 345.22 | K | Relay (... Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.44; 430.71] | J/mol×K | [660.67; 889.47] |
|
| Cp,gas | 371.44 | J/mol×K | 660.67 | Joback Calculated Property |
| Cp,gas | 383.28 | J/mol×K | 698.80 | Joback Calculated Property |
| Cp,gas | 394.31 | J/mol×K | 736.94 | Joback Calculated Property |
| Cp,gas | 404.55 | J/mol×K | 775.07 | Joback Calculated Property |
| Cp,gas | 414.02 | J/mol×K | 813.20 | Joback Calculated Property |
| Cp,gas | 422.74 | J/mol×K | 851.34 | Joback Calculated Property |
| Cp,gas | 430.71 | J/mol×K | 889.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylpropionic acid, 4-cyanophenyl ester.
Sources
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