- InChI
- InChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3
- InChI Key
- WOULTTPZJDSDEI-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- C=CC1(C)CCC(C(C)C)C(O)C1C(=C)C
- Molecular Weight1
- 222.37
- Other Names
-
- elema-1,3-dien-6«alpha»-ol
- Epishiobunol
- 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.
- 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° | 99.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.798 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [1505.00; 1517.00] |
|
|
| Inp | 1505.00 | NIST | |
| Inp | 1517.00 | NIST | |
| I | [1881.00; 1925.00] |
|
|
| I | 1881.00 | NIST | |
| I | 1925.00 | NIST | |
| Tboil | 633.36 | K | Joback Calculated Property |
| Tc | 827.92 | K | Joback Calculated Property |
| Tfus | 305.71 | K | Joback Calculated Property |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.93; 691.04] | J/mol×K | [633.36; 827.92] |
|
| Cp,gas | 586.93 | J/mol×K | 633.36 | Joback Calculated Property |
| Cp,gas | 606.35 | J/mol×K | 665.79 | Joback Calculated Property |
| Cp,gas | 624.82 | J/mol×K | 698.21 | Joback Calculated Property |
| Cp,gas | 642.44 | J/mol×K | 730.64 | Joback Calculated Property |
| Cp,gas | 659.29 | J/mol×K | 763.06 | Joback Calculated Property |
| Cp,gas | 675.46 | J/mol×K | 795.49 | Joback Calculated Property |
| Cp,gas | 691.04 | J/mol×K | 827.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-epi-shyobunol.
Sources
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