- InChI
- InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3/b6-5+
- InChI Key
- OJGKTHCXUFNMIQ-AATRIKPKSA-N
- Formula
- C13H24O3
- SMILES
- CC(O)C=CC1(O)C(C)CC(O)CC1(C)C
- Molecular Weight1
- 228.33
- 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).
- 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° | -283.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 1.472 | Crippen Calculated Property | |
| McVol | 196.480 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| I | [3100.00; 3100.00] |
|
|
| I | 3100.00 | NIST | |
| I | 3100.00 | NIST | |
| Tboil | 783.12 | K | Joback Calculated Property |
| Tc | 972.86 | K | Joback Calculated Property |
| Tfus | 441.11 | K | Joback Calculated Property |
| Vc | 0.721 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [630.58; 721.51] | J/mol×K | [783.12; 972.86] |
|
| Cp,gas | 630.58 | J/mol×K | 783.12 | Joback Calculated Property |
| Cp,gas | 645.42 | J/mol×K | 814.74 | Joback Calculated Property |
| Cp,gas | 660.20 | J/mol×K | 846.37 | Joback Calculated Property |
| Cp,gas | 675.06 | J/mol×K | 877.99 | Joback Calculated Property |
| Cp,gas | 690.13 | J/mol×K | 909.61 | Joback Calculated Property |
| Cp,gas | 705.57 | J/mol×K | 941.23 | Joback Calculated Property |
| Cp,gas | 721.51 | J/mol×K | 972.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-dihydroxy-megastigm-7-en-9-ol.
Sources
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