- InChI
- InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-12-17-23-20(22)16-15-19(21)18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3
- InChI Key
- CTBKEQYDHQVHKU-UHFFFAOYSA-N
- Formula
- C20H30O3
- SMILES
-
CCCCCCCCCCOC(=O)CCC(=O)c1ccccc
1 - Molecular Weight1
- 318.45
- 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° | -132.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.29 | kJ/mol | Joback Calculated Property |
| log10WS | -6.02 | Crippen Calculated Property | |
| logPoct/wat | 5.333 | Crippen Calculated Property | |
| McVol | 277.910 | ml/mol | McGowan Calculated Property |
| Pc | 1373.78 | kPa | Joback Calculated Property |
| Inp | [2510.00; 2510.00] |
|
|
| Inp | 2510.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Tboil | 813.84 | K | Joback Calculated Property |
| Tc | 1012.02 | K | Joback Calculated Property |
| Tfus | 463.67 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.69; 933.31] | J/mol×K | [813.84; 1012.02] |
|
| Cp,gas | 848.69 | J/mol×K | 813.84 | Joback Calculated Property |
| Cp,gas | 865.34 | J/mol×K | 846.87 | Joback Calculated Property |
| Cp,gas | 880.92 | J/mol×K | 879.90 | Joback Calculated Property |
| Cp,gas | 895.47 | J/mol×K | 912.93 | Joback Calculated Property |
| Cp,gas | 909.03 | J/mol×K | 945.96 | Joback Calculated Property |
| Cp,gas | 921.63 | J/mol×K | 978.99 | Joback Calculated Property |
| Cp,gas | 933.31 | J/mol×K | 1012.02 | Joback Calculated Property |
| η | [0.0000720; 0.0010056] | Pa×s | [463.67; 813.84] |
|
| η | 0.0010056 | Pa×s | 463.67 | Joback Calculated Property |
| η | 0.0005068 | Pa×s | 522.03 | Joback Calculated Property |
| η | 0.0002932 | Pa×s | 580.39 | Joback Calculated Property |
| η | 0.0001875 | Pa×s | 638.75 | Joback Calculated Property |
| η | 0.0001292 | Pa×s | 697.12 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 755.48 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 813.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, decyl ester.
Sources
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