- InChI
- InChI=1S/C15H24O/c1-12-7-5-9-13(2)14(16)11-15(3,4)10-6-8-12/h6-7,10,14,16H,2,5,8-9,11H2,1,3-4H3/b10-6+,12-7+/t14-/m0/s1
- InChI Key
- NMGJCQNNUTYSJJ-KCYZJYRFSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC=C(C)CC=CC(C)(C)CC1O
- Molecular Weight1
- 220.35
- 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° | -7.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | [1632.00; 1632.00] |
|
|
| Inp | 1632.00 | NIST | |
| Inp | 1632.00 | NIST | |
| I | [2234.00; 2314.00] |
|
|
| I | 2234.00 | NIST | |
| I | 2274.00 | NIST | |
| I | 2270.00 | NIST | |
| I | 2280.00 | NIST | |
| I | 2282.00 | NIST | |
| I | 2285.00 | NIST | |
| I | 2314.00 | NIST | |
| Tboil | 673.71 | K | Joback Calculated Property |
| Tc | 890.35 | K | Joback Calculated Property |
| Tfus | 356.79 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.42; 679.22] | J/mol×K | [673.71; 890.35] |
|
| Cp,gas | 573.42 | J/mol×K | 673.71 | Joback Calculated Property |
| Cp,gas | 593.46 | J/mol×K | 709.82 | Joback Calculated Property |
| Cp,gas | 612.44 | J/mol×K | 745.92 | Joback Calculated Property |
| Cp,gas | 630.44 | J/mol×K | 782.03 | Joback Calculated Property |
| Cp,gas | 647.51 | J/mol×K | 818.13 | Joback Calculated Property |
| Cp,gas | 663.75 | J/mol×K | 854.24 | Joback Calculated Property |
| Cp,gas | 679.22 | J/mol×K | 890.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to humulenol II.
Sources
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