- InChI
- InChI=1S/C12H20O3/c1-11(2)7-9(14)8-12(3,15)10(11)5-4-6-13/h4,9,13-15H,6-8H2,1-3H3
- InChI Key
- OCBHAQAXMWENRQ-UHFFFAOYSA-N
- Formula
- C12H20O3
- SMILES
- CC1(C)CC(O)CC(C)(O)C1=C=CCO
- Molecular Weight1
- 212.29
- 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° | -188.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 0.992 | Crippen Calculated Property | |
| McVol | 178.090 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Inp | 1652.00 | NIST | |
| Tboil | 771.10 | K | Joback Calculated Property |
| Tc | 963.55 | K | Joback Calculated Property |
| Tfus | 471.03 | K | Joback Calculated Property |
| Vc | 0.654 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.54; 627.38] | J/mol×K | [771.10; 963.55] | 
|
| Cp,gas | 546.54 | J/mol×K | 771.10 | Joback Calculated Property |
| Cp,gas | 559.61 | J/mol×K | 803.18 | Joback Calculated Property |
| Cp,gas | 572.67 | J/mol×K | 835.25 | Joback Calculated Property |
| Cp,gas | 585.85 | J/mol×K | 867.33 | Joback Calculated Property |
| Cp,gas | 599.28 | J/mol×K | 899.40 | Joback Calculated Property |
| Cp,gas | 613.08 | J/mol×K | 931.48 | Joback Calculated Property |
| Cp,gas | 627.38 | J/mol×K | 963.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,7-megastigmadiene-3,5,9-triol.
Sources
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