- InChI
- InChI=1S/C23H28O5/c1-17(2)18(3)27-23(25)14-8-13-22(24)26-16-19-9-7-12-21(15-19)28-20-10-5-4-6-11-20/h4-7,9-12,15,17-18H,8,13-14,16H2,1-3H3
- InChI Key
- PXSCXNJMPNKGLR-UHFFFAOYSA-N
- Formula
- C23H28O5
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)OCc1ccc
c(Oc2ccccc2)c1 - Molecular Weight1
- 384.47
- 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° | -219.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -688.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.95 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 5.280 | Crippen Calculated Property | |
| McVol | 308.160 | ml/mol | McGowan Calculated Property |
| Pc | 1384.02 | kPa | Joback Calculated Property |
| Inp | [2827.00; 2827.00] |
|
|
| Inp | 2827.00 | NIST | |
| Inp | 2827.00 | NIST | |
| Tboil | 958.10 | K | Joback Calculated Property |
| Tc | 1184.39 | K | Joback Calculated Property |
| Tfus | 550.88 | K | Joback Calculated Property |
| Vc | 1.161 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [985.42; 1044.51] | J/mol×K | [958.10; 1184.39] |
|
| Cp,gas | 985.42 | J/mol×K | 958.10 | Joback Calculated Property |
| Cp,gas | 999.03 | J/mol×K | 995.82 | Joback Calculated Property |
| Cp,gas | 1011.09 | J/mol×K | 1033.53 | Joback Calculated Property |
| Cp,gas | 1021.63 | J/mol×K | 1071.25 | Joback Calculated Property |
| Cp,gas | 1030.70 | J/mol×K | 1108.96 | Joback Calculated Property |
| Cp,gas | 1038.31 | J/mol×K | 1146.68 | Joback Calculated Property |
| Cp,gas | 1044.51 | J/mol×K | 1184.39 | Joback Calculated Property |
| η | [0.0000227; 0.0003191] | Pa×s | [550.88; 958.10] |
|
| η | 0.0003191 | Pa×s | 550.88 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 618.75 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 686.62 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 754.49 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 822.36 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 890.23 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 958.10 | Joback Calculated Property |
Similar Compounds
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Sources
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