- InChI
- InChI=1S/C14H20O2/c1-4-13(12-8-6-5-7-9-12)14(15)16-10-11(2)3/h5-9,11,13H,4,10H2,1-3H3
- InChI Key
- WQXRSCCNMOHJSE-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCC(C(=O)OCC(C)C)c1ccccc1
- Molecular Weight1
- 220.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -59.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 3.379 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2125.60 | kPa | Joback Calculated Property |
| Inp | [1497.00; 1497.00] |
|
|
| Inp | 1497.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Tboil | 621.81 | K | Joback Calculated Property |
| Tc | 829.67 | K | Joback Calculated Property |
| Tfus | 316.12 | K | Joback Calculated Property |
| Vc | 0.724 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.97; 582.89] | J/mol×K | [621.81; 829.67] |
|
| Cp,gas | 494.97 | J/mol×K | 621.81 | Joback Calculated Property |
| Cp,gas | 512.03 | J/mol×K | 656.45 | Joback Calculated Property |
| Cp,gas | 528.09 | J/mol×K | 691.10 | Joback Calculated Property |
| Cp,gas | 543.18 | J/mol×K | 725.74 | Joback Calculated Property |
| Cp,gas | 557.32 | J/mol×K | 760.38 | Joback Calculated Property |
| Cp,gas | 570.55 | J/mol×K | 795.03 | Joback Calculated Property |
| Cp,gas | 582.89 | J/mol×K | 829.67 | Joback Calculated Property |
| η | [0.0001317; 0.0034830] | Pa×s | [316.12; 621.81] |
|
| η | 0.0034830 | Pa×s | 316.12 | Joback Calculated Property |
| η | 0.0013815 | Pa×s | 367.07 | Joback Calculated Property |
| η | 0.0006866 | Pa×s | 418.02 | Joback Calculated Property |
| η | 0.0003972 | Pa×s | 468.96 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 519.91 | Joback Calculated Property |
| η | 0.0001782 | Pa×s | 570.86 | Joback Calculated Property |
| η | 0.0001317 | Pa×s | 621.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, isobutyl ester.
Sources
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