- InChI
- InChI=1S/C15H26O/c1-12-6-5-10-15(3,4)11-9-13(2)14(16)8-7-12/h7,9,11,13-14,16H,5-6,8,10H2,1-4H3/b11-9+,12-7-
- InChI Key
- DRAXKQKWFHOAHF-WEYIAPCQSA-N
- Formula
- C15H26O
- SMILES
- CC1=CCC(O)C(C)C=CC(C)(C)CCC1
- Molecular Weight1
- 222.37
- 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° | -68.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.086 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Inp | 1655.00 | NIST | |
| Tboil | 669.88 | K | Joback Calculated Property |
| Tc | 884.88 | K | Joback Calculated Property |
| Tfus | 338.87 | K | Joback Calculated Property |
| Vc | 0.755 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.52; 712.77] | J/mol×K | [669.88; 884.88] | 
|
| Cp,gas | 599.52 | J/mol×K | 669.88 | Joback Calculated Property |
| Cp,gas | 621.01 | J/mol×K | 705.71 | Joback Calculated Property |
| Cp,gas | 641.36 | J/mol×K | 741.55 | Joback Calculated Property |
| Cp,gas | 660.64 | J/mol×K | 777.38 | Joback Calculated Property |
| Cp,gas | 678.92 | J/mol×K | 813.22 | Joback Calculated Property |
| Cp,gas | 696.28 | J/mol×K | 849.05 | Joback Calculated Property |
| Cp,gas | 712.77 | J/mol×K | 884.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to humulan-1,6-dien-3-ol.
Sources
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