- InChI
- InChI=1S/C15H24O/c1-13-6-4-7-14(12-16)8-5-10-15(2,3)11-9-13/h5,7,9-10,16H,4,6,8,11-12H2,1-3H3/b10-5+,13-9+,14-7-
- InChI Key
- BNIJVJLOOJVDGU-ZMYZPJLPSA-N
- Formula
- C15H24O
- SMILES
- CC1=CCC(C)(C)C=CCC(CO)=CCC1
- Molecular Weight1
- 220.35
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4808 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.008 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | 1780.00 | NIST | |
| I | 2378.00 | NIST | |
| Tboil | 583.58 | K | Relay (1.0) Calculated Property |
| Tc | 772.26 | K | Relay (1.0) Calculated Property |
| Tfus | 335.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.12; 674.72] | J/mol×K | [683.36; 901.01] | 
|
| Cp,gas | 572.12 | J/mol×K | 683.36 | Joback Calculated Property |
| Cp,gas | 591.49 | J/mol×K | 719.64 | Joback Calculated Property |
| Cp,gas | 609.84 | J/mol×K | 755.91 | Joback Calculated Property |
| Cp,gas | 627.25 | J/mol×K | 792.19 | Joback Calculated Property |
| Cp,gas | 643.82 | J/mol×K | 828.46 | Joback Calculated Property |
| Cp,gas | 659.61 | J/mol×K | 864.74 | Joback Calculated Property |
| Cp,gas | 674.72 | J/mol×K | 901.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 14-Hydroxy-«alpha»-humulene.
Sources
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