- InChI
- InChI=1S/C15H20O3/c1-2-3-7-12-18-15(17)11-10-14(16)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
- InChI Key
- PIGYVSXCUZJDKU-UHFFFAOYSA-N
- Formula
- C15H20O3
- SMILES
- CCCCCOC(=O)CCC(=O)c1ccccc1
- Molecular Weight1
- 248.32
- 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° | -175.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 3.383 | Crippen Calculated Property | |
| McVol | 207.460 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | [1985.00; 1985.00] |
|
|
| Inp | 1985.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Tboil | 699.44 | K | Joback Calculated Property |
| Tc | 903.67 | K | Joback Calculated Property |
| Tfus | 407.32 | K | Joback Calculated Property |
| Vc | 0.797 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.19; 645.01] | J/mol×K | [699.44; 903.67] |
|
| Cp,gas | 567.19 | J/mol×K | 699.44 | Joback Calculated Property |
| Cp,gas | 582.45 | J/mol×K | 733.48 | Joback Calculated Property |
| Cp,gas | 596.75 | J/mol×K | 767.52 | Joback Calculated Property |
| Cp,gas | 610.13 | J/mol×K | 801.56 | Joback Calculated Property |
| Cp,gas | 622.62 | J/mol×K | 835.59 | Joback Calculated Property |
| Cp,gas | 634.23 | J/mol×K | 869.63 | Joback Calculated Property |
| Cp,gas | 645.01 | J/mol×K | 903.67 | Joback Calculated Property |
| η | [0.0001371; 0.0015586] | Pa×s | [407.32; 699.44] |
|
| η | 0.0015586 | Pa×s | 407.32 | Joback Calculated Property |
| η | 0.0008373 | Pa×s | 456.01 | Joback Calculated Property |
| η | 0.0005070 | Pa×s | 504.69 | Joback Calculated Property |
| η | 0.0003354 | Pa×s | 553.38 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 602.07 | Joback Calculated Property |
| η | 0.0001767 | Pa×s | 650.75 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 699.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, pentyl ester.
Sources
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