- InChI
- InChI=1S/C15H24O/c1-11-5-4-6-12(2)13-9-15(3,10-16)14(13)8-7-11/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15?/m1/s1
- InChI Key
- DFMBJBXEHZSTJQ-VMLHABITSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC=C(C)CCC2C1CC2(C)CO
- Molecular Weight1
- 220.35
- Other Names
-
- 14-Hydroxy-9-epi-«beta»-Caryophyllen
- 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.
- 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° | 59.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | [1662.00; 1670.00] |
|
|
| Inp | 1664.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1662.00 | NIST | |
| I | [2310.00; 2310.00] |
|
|
| I | 2310.00 | NIST | |
| I | 2310.00 | NIST | |
| I | 2310.00 | NIST | |
| Tboil | 668.48 | K | Joback Calculated Property |
| Tc | 877.54 | K | Joback Calculated Property |
| Tfus | 384.53 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.23; 676.30] | J/mol×K | [668.48; 877.54] |
|
| Cp,gas | 574.23 | J/mol×K | 668.48 | Joback Calculated Property |
| Cp,gas | 593.26 | J/mol×K | 703.32 | Joback Calculated Property |
| Cp,gas | 611.33 | J/mol×K | 738.17 | Joback Calculated Property |
| Cp,gas | 628.56 | J/mol×K | 773.01 | Joback Calculated Property |
| Cp,gas | 645.05 | J/mol×K | 807.85 | Joback Calculated Property |
| Cp,gas | 660.93 | J/mol×K | 842.69 | Joback Calculated Property |
| Cp,gas | 676.30 | J/mol×K | 877.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 14-Hydroxy-9-epi-«beta»-caryophyllene.
Sources
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