- InChI
- InChI=1S/C13H26O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9-12,14-15H,5-8H2,1-4H3
- InChI Key
- YLDOBTZIBQRAPU-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CC(O)CCC1C(C)CC(O)CC1(C)C
- Molecular Weight1
- 214.34
- 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° | -221.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 2.581 | Crippen Calculated Property | |
| McVol | 194.910 | ml/mol | McGowan Calculated Property |
| Pc | 2218.71 | kPa | Joback Calculated Property |
| I | [2651.00; 2651.00] |
|
|
| I | 2651.00 | NIST | |
| I | 2651.00 | NIST | |
| Tboil | 686.54 | K | Joback Calculated Property |
| Tc | 868.74 | K | Joback Calculated Property |
| Tfus | 361.47 | K | Joback Calculated Property |
| Vc | 0.724 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.74; 684.34] | J/mol×K | [686.54; 868.74] |
|
| Cp,gas | 594.74 | J/mol×K | 686.54 | Joback Calculated Property |
| Cp,gas | 611.14 | J/mol×K | 716.91 | Joback Calculated Property |
| Cp,gas | 626.87 | J/mol×K | 747.27 | Joback Calculated Property |
| Cp,gas | 641.99 | J/mol×K | 777.64 | Joback Calculated Property |
| Cp,gas | 656.57 | J/mol×K | 808.01 | Joback Calculated Property |
| Cp,gas | 670.66 | J/mol×K | 838.37 | Joback Calculated Property |
| Cp,gas | 684.34 | J/mol×K | 868.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to megastigman-3,9-diol.
Sources
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