- InChI
- InChI=1S/C15H26O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h12-14,16H,1,4-10H2,2-3H3
- InChI Key
- QPKKKWDNDWSIRV-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- C=C1CCCC(CO)CCC2C1CC2(C)C
- 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).
- 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° | 31.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.04 | Crippen Calculated Property | |
| logPoct/wat | 3.778 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| I | [2415.00; 2415.00] |
|
|
| I | 2415.00 | NIST | |
| I | 2415.00 | NIST | |
| I | 2415.00 | NIST | |
| Tboil | 659.67 | K | Joback Calculated Property |
| Tc | 866.13 | K | Joback Calculated Property |
| Tfus | 367.01 | K | Joback Calculated Property |
| Vc | 0.749 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.07; 709.11] | J/mol×K | [659.67; 866.13] |
|
| Cp,gas | 599.07 | J/mol×K | 659.67 | Joback Calculated Property |
| Cp,gas | 619.70 | J/mol×K | 694.08 | Joback Calculated Property |
| Cp,gas | 639.27 | J/mol×K | 728.49 | Joback Calculated Property |
| Cp,gas | 657.89 | J/mol×K | 762.90 | Joback Calculated Property |
| Cp,gas | 675.66 | J/mol×K | 797.31 | Joback Calculated Property |
| Cp,gas | 692.70 | J/mol×K | 831.72 | Joback Calculated Property |
| Cp,gas | 709.11 | J/mol×K | 866.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 14-Hydroxy-4,5-dihydro-«beta»-caryophyllene.
Sources
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