- InChI
- InChI=1S/C16H22O3/c1-2-3-4-8-13-19-16(18)12-11-15(17)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
- InChI Key
- IAEQYGYQJWEOJJ-UHFFFAOYSA-N
- Formula
- C16H22O3
- SMILES
- CCCCCCOC(=O)CCC(=O)c1ccccc1
- Molecular Weight1
- 262.34
- 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° | -166.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.34 | Crippen Calculated Property | |
| logPoct/wat | 3.773 | Crippen Calculated Property | |
| McVol | 221.550 | ml/mol | McGowan Calculated Property |
| Pc | 1867.55 | kPa | Joback Calculated Property |
| Inp | [2088.00; 2088.00] |
|
|
| Inp | 2088.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Tboil | 722.32 | K | Joback Calculated Property |
| Tc | 924.32 | K | Joback Calculated Property |
| Tfus | 418.59 | K | Joback Calculated Property |
| Vc | 0.854 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.37; 700.97] | J/mol×K | [722.32; 924.32] |
|
| Cp,gas | 621.37 | J/mol×K | 722.32 | Joback Calculated Property |
| Cp,gas | 636.97 | J/mol×K | 755.99 | Joback Calculated Property |
| Cp,gas | 651.60 | J/mol×K | 789.65 | Joback Calculated Property |
| Cp,gas | 665.29 | J/mol×K | 823.32 | Joback Calculated Property |
| Cp,gas | 678.06 | J/mol×K | 856.99 | Joback Calculated Property |
| Cp,gas | 689.94 | J/mol×K | 890.65 | Joback Calculated Property |
| Cp,gas | 700.97 | J/mol×K | 924.32 | Joback Calculated Property |
| η | [0.0001215; 0.0014448] | Pa×s | [418.59; 722.32] |
|
| η | 0.0014448 | Pa×s | 418.59 | Joback Calculated Property |
| η | 0.0007654 | Pa×s | 469.21 | Joback Calculated Property |
| η | 0.0004589 | Pa×s | 519.83 | Joback Calculated Property |
| η | 0.0003013 | Pa×s | 570.45 | Joback Calculated Property |
| η | 0.0002119 | Pa×s | 621.08 | Joback Calculated Property |
| η | 0.0001571 | Pa×s | 671.70 | Joback Calculated Property |
| η | 0.0001215 | Pa×s | 722.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, hexyl ester.
Sources
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