- InChI
- InChI=1S/C29H40O4/c1-3-4-5-6-7-8-9-10-11-12-17-22-32-28(30)26-20-15-16-21-27(26)29(31)33-23-25-19-14-13-18-24(25)2/h13-16,18-21H,3-12,17,22-23H2,1-2H3
- InChI Key
- MSEWIKZOPVOCSX-UHFFFAOYSA-N
- Formula
- C29H40O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCc1ccccc1C - Molecular Weight1
- 452.63
- 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° | -68.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.34 | kJ/mol | Joback Calculated Property |
| log10WS | -9.57 | Crippen Calculated Property | |
| logPoct/wat | 7.820 | Crippen Calculated Property | |
| McVol | 386.830 | ml/mol | McGowan Calculated Property |
| Pc | 930.64 | kPa | Joback Calculated Property |
| Inp | [3265.00; 3265.00] |
|
|
| Inp | 3265.00 | NIST | |
| Inp | 3265.00 | NIST | |
| Tboil | 1078.82 | K | Joback Calculated Property |
| Tc | 1321.69 | K | Joback Calculated Property |
| Tfus | 638.79 | K | Joback Calculated Property |
| Vc | 1.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1321.30; 1385.41] | J/mol×K | [1078.82; 1321.69] |
|
| Cp,gas | 1321.30 | J/mol×K | 1078.82 | Joback Calculated Property |
| Cp,gas | 1336.02 | J/mol×K | 1119.30 | Joback Calculated Property |
| Cp,gas | 1349.02 | J/mol×K | 1159.78 | Joback Calculated Property |
| Cp,gas | 1360.37 | J/mol×K | 1200.26 | Joback Calculated Property |
| Cp,gas | 1370.17 | J/mol×K | 1240.74 | Joback Calculated Property |
| Cp,gas | 1378.49 | J/mol×K | 1281.22 | Joback Calculated Property |
| Cp,gas | 1385.41 | J/mol×K | 1321.69 | Joback Calculated Property |
| η | [0.0000154; 0.0001676] | Pa×s | [638.79; 1078.82] |
|
| η | 0.0001676 | Pa×s | 638.79 | Joback Calculated Property |
| η | 0.0000917 | Pa×s | 712.13 | Joback Calculated Property |
| η | 0.0000561 | Pa×s | 785.47 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 858.81 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 932.14 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 1005.48 | Joback Calculated Property |
| η | 0.0000154 | Pa×s | 1078.82 | Joback Calculated Property |
Similar Compounds
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Sources
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