- InChI
- InChI=1S/C28H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-28(30)24-23-27(29)26-21-18-17-19-22-26/h17-19,21-22H,2-16,20,23-25H2,1H3
- InChI Key
- UWDBGFVEELSFOH-UHFFFAOYSA-N
- Formula
- C28H46O3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O
)c1ccccc1 - Molecular Weight1
- 430.66
- 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° | -65.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.10 | kJ/mol | Joback Calculated Property |
| log10WS | -9.37 | Crippen Calculated Property | |
| logPoct/wat | 8.454 | Crippen Calculated Property | |
| McVol | 390.630 | ml/mol | McGowan Calculated Property |
| Pc | 832.42 | kPa | Joback Calculated Property |
| Inp | 3345.00 | NIST | |
| Tboil | 996.88 | K | Joback Calculated Property |
| Tc | 1222.71 | K | Joback Calculated Property |
| Tfus | 553.83 | K | Joback Calculated Property |
| Vc | 1.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1340.24; 1434.19] | J/mol×K | [996.88; 1222.71] | 
|
| Cp,gas | 1340.24 | J/mol×K | 996.88 | Joback Calculated Property |
| Cp,gas | 1359.36 | J/mol×K | 1034.52 | Joback Calculated Property |
| Cp,gas | 1376.98 | J/mol×K | 1072.16 | Joback Calculated Property |
| Cp,gas | 1393.18 | J/mol×K | 1109.80 | Joback Calculated Property |
| Cp,gas | 1408.06 | J/mol×K | 1147.44 | Joback Calculated Property |
| Cp,gas | 1421.70 | J/mol×K | 1185.08 | Joback Calculated Property |
| Cp,gas | 1434.19 | J/mol×K | 1222.71 | Joback Calculated Property |
| η | [0.0000222; 0.0003977] | Pa×s | [553.83; 996.88] |
|
| η | 0.0003977 | Pa×s | 553.83 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 627.67 | Joback Calculated Property |
| η | 0.0001014 | Pa×s | 701.51 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 775.36 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 849.20 | Joback Calculated Property |
| η | 0.0000296 | Pa×s | 923.04 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 996.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, octadecyl ester.
Sources
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