- InChI
- InChI=1S/C12H20O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10-11,14H,6-7H2,1-4H3
- InChI Key
- ISKWEZUCHJMRLH-UHFFFAOYSA-N
- Formula
- C12H20O3
- SMILES
- CC(=O)OC(C)(C)C1CC=C(C)C(O)C1
- Molecular Weight1
- 212.29
- CAS
- 93133-02-9
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5413 | Relay (1.0) Calculated Property | |
| ΔfG° | -280.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.045 | Crippen Calculated Property | |
| McVol | 178.090 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | 1528.80 | NIST | |
| Tboil | 539.19 | K | Relay (1.0) Calculated Property |
| Tc | 745.25 | K | Relay (1.0) Calculated Property |
| Tfus | 317.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.00; 584.46] | J/mol×K | [658.22; 858.39] | 
|
| Cp,gas | 504.00 | J/mol×K | 658.22 | Joback Calculated Property |
| Cp,gas | 519.66 | J/mol×K | 691.58 | Joback Calculated Property |
| Cp,gas | 534.39 | J/mol×K | 724.94 | Joback Calculated Property |
| Cp,gas | 548.21 | J/mol×K | 758.30 | Joback Calculated Property |
| Cp,gas | 561.14 | J/mol×K | 791.67 | Joback Calculated Property |
| Cp,gas | 573.22 | J/mol×K | 825.03 | Joback Calculated Property |
| Cp,gas | 584.46 | J/mol×K | 858.39 | Joback Calculated Property |
| η | [0.0000568; 0.0030088] | Pa×s | [376.82; 658.22] |
|
| η | 0.0030088 | Pa×s | 376.82 | Joback Calculated Property |
| η | 0.0010767 | Pa×s | 423.72 | Joback Calculated Property |
| η | 0.0004729 | Pa×s | 470.62 | Joback Calculated Property |
| η | 0.0002411 | Pa×s | 517.52 | Joback Calculated Property |
| η | 0.0001375 | Pa×s | 564.42 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 611.32 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 658.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sobrerol 8-acetate.
Sources
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