- InChI
- InChI=1S/C26H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-29-26(28)22-21-25(27)24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21-23H2,1H3
- InChI Key
- KWBZBSHTLNLUQR-UHFFFAOYSA-N
- Formula
- C26H42O3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCC(=O)c
1ccccc1 - Molecular Weight1
- 402.61
- 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° | -82.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.65 | kJ/mol | Joback Calculated Property |
| log10WS | -8.53 | Crippen Calculated Property | |
| logPoct/wat | 7.674 | Crippen Calculated Property | |
| McVol | 362.450 | ml/mol | McGowan Calculated Property |
| Pc | 932.92 | kPa | Joback Calculated Property |
| Inp | [3133.00; 3133.00] |
|
|
| Inp | 3133.00 | NIST | |
| Inp | 3133.00 | NIST | |
| Tboil | 951.12 | K | Joback Calculated Property |
| Tc | 1164.44 | K | Joback Calculated Property |
| Tfus | 531.29 | K | Joback Calculated Property |
| Vc | 1.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1213.90; 1304.89] | J/mol×K | [951.12; 1164.44] |
|
| Cp,gas | 1213.90 | J/mol×K | 951.12 | Joback Calculated Property |
| Cp,gas | 1232.20 | J/mol×K | 986.67 | Joback Calculated Property |
| Cp,gas | 1249.15 | J/mol×K | 1022.23 | Joback Calculated Property |
| Cp,gas | 1264.83 | J/mol×K | 1057.78 | Joback Calculated Property |
| Cp,gas | 1279.30 | J/mol×K | 1093.33 | Joback Calculated Property |
| Cp,gas | 1292.63 | J/mol×K | 1128.89 | Joback Calculated Property |
| Cp,gas | 1304.89 | J/mol×K | 1164.44 | Joback Calculated Property |
| η | [0.0000302; 0.0005114] | Pa×s | [531.29; 951.12] |
|
| η | 0.0005114 | Pa×s | 531.29 | Joback Calculated Property |
| η | 0.0002425 | Pa×s | 601.26 | Joback Calculated Property |
| η | 0.0001344 | Pa×s | 671.23 | Joback Calculated Property |
| η | 0.0000832 | Pa×s | 741.20 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 811.18 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 881.15 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 951.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, hexadecyl ester.
Sources
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