- InChI
- InChI=1S/C15H26O/c1-13-7-5-9-14(2,3)11-12-15(4,16)10-6-8-13/h5,8-9,16H,6-7,10-12H2,1-4H3/b9-5+,13-8+
- InChI Key
- YWVKKLNWTBCDCI-OKCSQZJQSA-N
- Formula
- C15H26O
- SMILES
- CC1=CCCC(C)(O)CCC(C)(C)C=CC1
- 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° | -65.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 2220.80 | kPa | Joback Calculated Property |
| Inp | [1597.00; 1597.00] |
|
|
| Inp | 1597.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Tboil | 674.79 | K | Joback Calculated Property |
| Tc | 897.41 | K | Joback Calculated Property |
| Tfus | 367.01 | K | Joback Calculated Property |
| Vc | 0.754 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.94; 710.36] | J/mol×K | [674.79; 897.41] |
|
| Cp,gas | 593.94 | J/mol×K | 674.79 | Joback Calculated Property |
| Cp,gas | 615.03 | J/mol×K | 711.89 | Joback Calculated Property |
| Cp,gas | 635.21 | J/mol×K | 749.00 | Joback Calculated Property |
| Cp,gas | 654.65 | J/mol×K | 786.10 | Joback Calculated Property |
| Cp,gas | 673.53 | J/mol×K | 823.20 | Joback Calculated Property |
| Cp,gas | 692.04 | J/mol×K | 860.30 | Joback Calculated Property |
| Cp,gas | 710.36 | J/mol×K | 897.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Humulene hydrate.
Sources
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