- InChI
- InChI=1S/C15H24O2/c1-10-4-5-13-15(3,17-13)7-6-12-11(10)8-14(12,2)9-16/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,14?,15+/m0/s1
- InChI Key
- XLKXIWMHACWINL-RDPXLKGRSA-N
- Formula
- C15H24O2
- SMILES
- C=C1CCC2OC2(C)CCC2C1CC2(C)CO
- Molecular Weight1
- 236.35
- 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.
- 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° | 25.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 2.909 | Crippen Calculated Property | |
| McVol | 197.070 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | [1667.00; 1669.00] |
|
|
| Inp | 1667.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Tboil | 685.06 | K | Joback Calculated Property |
| Tc | 897.27 | K | Joback Calculated Property |
| Tfus | 442.46 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.01; 717.01] | J/mol×K | [685.06; 897.27] |
|
| Cp,gas | 610.01 | J/mol×K | 685.06 | Joback Calculated Property |
| Cp,gas | 628.78 | J/mol×K | 720.43 | Joback Calculated Property |
| Cp,gas | 646.86 | J/mol×K | 755.80 | Joback Calculated Property |
| Cp,gas | 664.48 | J/mol×K | 791.17 | Joback Calculated Property |
| Cp,gas | 681.90 | J/mol×K | 826.54 | Joback Calculated Property |
| Cp,gas | 699.33 | J/mol×K | 861.90 | Joback Calculated Property |
| Cp,gas | 717.01 | J/mol×K | 897.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 14-Hydroxy-9-epi-(E)-caryophyllene oxide.
Sources
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