- InChI
- InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3/t11?,12?,14-,15+/m1/s1
- InChI Key
- FUQAYSQLAOJBBC-VHMBPLKRSA-N
- Formula
- C15H26O
- SMILES
- CC12CCCC(O)(C1)C1CC(C)(C)C1CC2
- Molecular Weight1
- 222.37
- CAS
- 178737-45-6
- 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.
- 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 | 0.5185 | Relay (... Calculated Property | |
| ΔfG° | 52.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.18 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -4.44 | Relay (... Calculated Property | |
| logPoct/wat | 3.754 | Crippen Calculated Property | |
| McVol | 195.500 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | [1573.00; 1573.00] |
|
|
| Inp | 1573.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Tboil | 561.19 | K | Relay (... Calculated Property |
| Tc | 808.94 | K | Relay (... Calculated Property |
| Tfus | 377.63 | K | Relay (... Calculated Property |
| Vc | 0.725 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.54; 715.33] | J/mol×K | [659.19; 879.30] |
|
| Cp,gas | 596.54 | J/mol×K | 659.19 | Joback Calculated Property |
| Cp,gas | 617.00 | J/mol×K | 695.88 | Joback Calculated Property |
| Cp,gas | 636.71 | J/mol×K | 732.56 | Joback Calculated Property |
| Cp,gas | 656.04 | J/mol×K | 769.25 | Joback Calculated Property |
| Cp,gas | 675.35 | J/mol×K | 805.93 | Joback Calculated Property |
| Cp,gas | 694.99 | J/mol×K | 842.62 | Joback Calculated Property |
| Cp,gas | 715.33 | J/mol×K | 879.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to caryolan-8-ol.
Sources
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