- InChI
- InChI=1S/C22H28O4/c1-16(2)13-17(3)26-22(24)10-6-9-21(23)25-15-18-11-12-19-7-4-5-8-20(19)14-18/h4-5,7-8,11-12,14,16-17H,6,9-10,13,15H2,1-3H3
- InChI Key
- IZDUPFLUQJHEAB-UHFFFAOYSA-N
- Formula
- C22H28O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCC(=O)OCc1cc
c2ccccc2c1 - Molecular Weight1
- 356.46
- 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° | -128.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.68 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 5.031 | Crippen Calculated Property | |
| McVol | 292.500 | ml/mol | McGowan Calculated Property |
| Pc | 1412.25 | kPa | Joback Calculated Property |
| Inp | 2741.00 | NIST | |
| Tboil | 905.10 | K | Joback Calculated Property |
| Tc | 1122.68 | K | Joback Calculated Property |
| Tfus | 523.66 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [920.99; 995.27] | J/mol×K | [905.10; 1122.68] | 
|
| Cp,gas | 920.99 | J/mol×K | 905.10 | Joback Calculated Property |
| Cp,gas | 936.11 | J/mol×K | 941.36 | Joback Calculated Property |
| Cp,gas | 950.05 | J/mol×K | 977.63 | Joback Calculated Property |
| Cp,gas | 962.88 | J/mol×K | 1013.89 | Joback Calculated Property |
| Cp,gas | 974.66 | J/mol×K | 1050.15 | Joback Calculated Property |
| Cp,gas | 985.43 | J/mol×K | 1086.42 | Joback Calculated Property |
| Cp,gas | 995.27 | J/mol×K | 1122.68 | Joback Calculated Property |
| η | [0.0000696; 0.0007057] | Pa×s | [523.66; 905.10] |
|
| η | 0.0007057 | Pa×s | 523.66 | Joback Calculated Property |
| η | 0.0003892 | Pa×s | 587.23 | Joback Calculated Property |
| η | 0.0002411 | Pa×s | 650.81 | Joback Calculated Property |
| η | 0.0001626 | Pa×s | 714.38 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 777.95 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 841.53 | Joback Calculated Property |
| η | 0.0000696 | Pa×s | 905.10 | Joback Calculated Property |
Similar Compounds
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Sources
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