- InChI
- InChI=1S/C15H22O/c1-10-5-6-11(2)14-9-12(15(3,4)16)7-8-13(10)14/h5-6,12,16H,7-9H2,1-4H3
- InChI Key
- AFBBWQXTLZVDEE-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- Cc1ccc(C)c2c1CCC(C(C)(C)O)C2
- Molecular Weight1
- 218.33
- CAS
- 5986-36-7
- 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.
- I : 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° | 73.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 3.179 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | [1794.00; 1860.00] |
|
|
| Inp | 1824.00 | NIST | |
| Inp | 1832.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1832.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1794.00 | NIST | |
| Inp | 1822.00 | NIST | |
| Inp | 1822.00 | NIST | |
| I | [2653.00; 2658.00] |
|
|
| I | 2653.00 | NIST | |
| I | 2658.00 | NIST | |
| Tboil | 684.18 | K | Joback Calculated Property |
| Tc | 895.36 | K | Joback Calculated Property |
| Tfus | 400.45 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.13; 635.13] | J/mol×K | [684.18; 895.36] |
|
| Cp,gas | 550.13 | J/mol×K | 684.18 | Joback Calculated Property |
| Cp,gas | 566.64 | J/mol×K | 719.38 | Joback Calculated Property |
| Cp,gas | 582.13 | J/mol×K | 754.57 | Joback Calculated Property |
| Cp,gas | 596.65 | J/mol×K | 789.77 | Joback Calculated Property |
| Cp,gas | 610.27 | J/mol×K | 824.97 | Joback Calculated Property |
| Cp,gas | 623.08 | J/mol×K | 860.17 | Joback Calculated Property |
| Cp,gas | 635.13 | J/mol×K | 895.36 | Joback Calculated Property |
| η | [0.0000694; 0.0020299] | Pa×s | [400.45; 684.18] |
|
| η | 0.0020299 | Pa×s | 400.45 | Joback Calculated Property |
| η | 0.0008591 | Pa×s | 447.74 | Joback Calculated Property |
| η | 0.0004285 | Pa×s | 495.03 | Joback Calculated Property |
| η | 0.0002413 | Pa×s | 542.32 | Joback Calculated Property |
| η | 0.0001490 | Pa×s | 589.60 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 636.89 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 684.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to occidol.
Sources
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