- InChI
- InChI=1S/C13H15NO2/c1-3-11(4-2)13(15)16-12-7-5-10(9-14)6-8-12/h5-8,11H,3-4H2,1-2H3
- InChI Key
- MIGWVIXXPPCHLV-UHFFFAOYSA-N
- Formula
- C13H15NO2
- SMILES
- CCC(CC)C(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 217.26
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 58.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.900 | Crippen Calculated Property | |
| McVol | 179.090 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | 1682.00 | NIST | |
| Tboil | 706.43 | K | Joback Calculated Property |
| Tc | 927.18 | K | Joback Calculated Property |
| Tfus | 397.36 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.04; 537.67] | J/mol×K | [706.43; 927.18] | 
|
| Cp,gas | 472.04 | J/mol×K | 706.43 | Joback Calculated Property |
| Cp,gas | 485.12 | J/mol×K | 743.22 | Joback Calculated Property |
| Cp,gas | 497.31 | J/mol×K | 780.01 | Joback Calculated Property |
| Cp,gas | 508.64 | J/mol×K | 816.81 | Joback Calculated Property |
| Cp,gas | 519.13 | J/mol×K | 853.60 | Joback Calculated Property |
| Cp,gas | 528.80 | J/mol×K | 890.39 | Joback Calculated Property |
| Cp,gas | 537.67 | J/mol×K | 927.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 4-cyanophenyl ester.
Sources
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