- InChI
- InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h5-7,9,11,14-16H,8H2,1-4H3/t11-,14?,15+/m1/s1
- InChI Key
- HTPALWBCPQXQBN-QTWGFKIWSA-N
- Formula
- C15H22O
- SMILES
- Cc1ccc2c(c1)C(C(C)C)C(O)CC2C
- Molecular Weight1
- 218.33
- 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° | 62.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.18 | Crippen Calculated Property | |
| logPoct/wat | 3.603 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | [1555.00; 1555.00] |
|
|
| Inp | 1555.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Tboil | 672.65 | K | Joback Calculated Property |
| Tc | 876.14 | K | Joback Calculated Property |
| Tfus | 362.03 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.03; 642.78] | J/mol×K | [672.65; 876.14] |
|
| Cp,gas | 553.03 | J/mol×K | 672.65 | Joback Calculated Property |
| Cp,gas | 570.37 | J/mol×K | 706.56 | Joback Calculated Property |
| Cp,gas | 586.70 | J/mol×K | 740.48 | Joback Calculated Property |
| Cp,gas | 602.07 | J/mol×K | 774.39 | Joback Calculated Property |
| Cp,gas | 616.51 | J/mol×K | 808.31 | Joback Calculated Property |
| Cp,gas | 630.07 | J/mol×K | 842.22 | Joback Calculated Property |
| Cp,gas | 642.78 | J/mol×K | 876.14 | Joback Calculated Property |
| η | [0.0001126; 0.0031559] | Pa×s | [362.03; 672.65] |
|
| η | 0.0031559 | Pa×s | 362.03 | Joback Calculated Property |
| η | 0.0012791 | Pa×s | 413.80 | Joback Calculated Property |
| η | 0.0006338 | Pa×s | 465.57 | Joback Calculated Property |
| η | 0.0003614 | Pa×s | 517.34 | Joback Calculated Property |
| η | 0.0002283 | Pa×s | 569.11 | Joback Calculated Property |
| η | 0.0001556 | Pa×s | 620.88 | Joback Calculated Property |
| η | 0.0001126 | Pa×s | 672.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Calamenen-9-ol.
Sources
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