- InChI
- InChI=1S/C15H24O/c1-11-6-5-7-12(2)13-10-14(3,4)15(13,16)9-8-11/h6,13,16H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,15+/m0/s1
- InChI Key
- UROVCJWHLNVTHJ-YIBQGTJZSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC=C(C)CCC2(O)C1CC2(C)C
- 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).
- 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 | 0.4369 | Relay (... Calculated Property | |
| ΔfG° | 54.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -3.23 | Relay (... Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2302.53 | kPa | Joback Calculated Property |
| I | 2363.00 | NIST | |
| Tboil | 559.91 | K | Relay (... Calculated Property |
| Tc | 780.45 | K | Relay (... Calculated Property |
| Tfus | 330.91 | K | Relay (... Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.53; 677.32] | J/mol×K | [668.72; 885.02] | 
|
| Cp,gas | 570.53 | J/mol×K | 668.72 | Joback Calculated Property |
| Cp,gas | 589.55 | J/mol×K | 704.77 | Joback Calculated Property |
| Cp,gas | 607.80 | J/mol×K | 740.82 | Joback Calculated Property |
| Cp,gas | 625.49 | J/mol×K | 776.87 | Joback Calculated Property |
| Cp,gas | 642.84 | J/mol×K | 812.92 | Joback Calculated Property |
| Cp,gas | 660.04 | J/mol×K | 848.97 | Joback Calculated Property |
| Cp,gas | 677.32 | J/mol×K | 885.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Hydroxy-«beta»-caryophyllene.
Sources
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