- InChI
- InChI=1S/C15H28O2/c1-9(2)11-5-6-15(4,17)13-8-14(16)10(3)7-12(11)13/h9-14,16-17H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15-/m0/s1
- InChI Key
- OSZJZKFYUTYGQX-GBGJHRCWSA-N
- Formula
- C15H28O2
- SMILES
-
CC(C)C1CCC(C)(O)C2CC(O)C(C)CC1
2 - Molecular Weight1
- 240.38
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -163.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.08 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 2.827 | Crippen Calculated Property | |
| McVol | 212.230 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Inp | 1740.00 | NIST | |
| Tboil | 738.64 | K | Joback Calculated Property |
| Tc | 932.18 | K | Joback Calculated Property |
| Tfus | 394.19 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [698.60; 799.98] | J/mol×K | [738.64; 932.18] | 
|
| Cp,gas | 698.60 | J/mol×K | 738.64 | Joback Calculated Property |
| Cp,gas | 717.17 | J/mol×K | 770.90 | Joback Calculated Property |
| Cp,gas | 734.95 | J/mol×K | 803.15 | Joback Calculated Property |
| Cp,gas | 752.03 | J/mol×K | 835.41 | Joback Calculated Property |
| Cp,gas | 768.50 | J/mol×K | 867.67 | Joback Calculated Property |
| Cp,gas | 784.45 | J/mol×K | 899.93 | Joback Calculated Property |
| Cp,gas | 799.98 | J/mol×K | 932.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cadinan-3-«beta»,10-«beta»-diol.
Sources
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