- InChI
- InChI=1S/C22H36O2/c1-5-6-7-8-9-10-11-16-24-22(23)19(4)21-14-12-20(13-15-21)17-18(2)3/h12-15,18-19H,5-11,16-17H2,1-4H3
- InChI Key
- OLLWIVFSCIRRQY-UHFFFAOYSA-N
- Formula
- C22H36O2
- SMILES
-
CCCCCCCCCOC(=O)C(C)c1ccc(CC(C)
C)cc1 - Molecular Weight1
- 332.52
- 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° | -1.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.88 | kJ/mol | Joback Calculated Property |
| log10WS | -6.68 | Crippen Calculated Property | |
| logPoct/wat | 6.282 | Crippen Calculated Property | |
| McVol | 304.520 | ml/mol | McGowan Calculated Property |
| Pc | 1147.54 | kPa | Joback Calculated Property |
| Inp | 1715.00 | NIST | |
| Tboil | 809.83 | K | Joback Calculated Property |
| Tc | 1005.55 | K | Joback Calculated Property |
| Tfus | 418.80 | K | Joback Calculated Property |
| Vc | 1.171 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.15; 1043.61] | J/mol×K | [809.83; 1005.55] | 
|
| Cp,gas | 946.15 | J/mol×K | 809.83 | Joback Calculated Property |
| Cp,gas | 965.15 | J/mol×K | 842.45 | Joback Calculated Property |
| Cp,gas | 983.00 | J/mol×K | 875.07 | Joback Calculated Property |
| Cp,gas | 999.73 | J/mol×K | 907.69 | Joback Calculated Property |
| Cp,gas | 1015.38 | J/mol×K | 940.31 | Joback Calculated Property |
| Cp,gas | 1029.99 | J/mol×K | 972.93 | Joback Calculated Property |
| Cp,gas | 1043.61 | J/mol×K | 1005.55 | Joback Calculated Property |
| η | [0.0000482; 0.0012268] | Pa×s | [418.80; 809.83] |
|
| η | 0.0012268 | Pa×s | 418.80 | Joback Calculated Property |
| η | 0.0004974 | Pa×s | 483.97 | Joback Calculated Property |
| η | 0.0002498 | Pa×s | 549.14 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 614.31 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 679.49 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 744.66 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 809.83 | Joback Calculated Property |
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Sources
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