- InChI
- InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-14,16H,1,6-9H2,2-4H3/b11-5-/t12-,13-,14?/m0/s1
- InChI Key
- DWUYGFWOANEJRE-BZMNMHEJSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC(O)C(C)=CCC2C1CC2(C)C
- Molecular Weight1
- 220.35
- 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.
- 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° | 52.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | 1627.00 | NIST | |
| I | [2270.00; 2270.00] |
|
|
| I | 2270.00 | NIST | |
| I | 2270.00 | NIST | |
| Tboil | 663.81 | K | Joback Calculated Property |
| Tc | 872.81 | K | Joback Calculated Property |
| Tfus | 380.29 | K | Joback Calculated Property |
| Vc | 0.735 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.12; 680.52] | J/mol×K | [663.81; 872.81] |
|
| Cp,gas | 576.12 | J/mol×K | 663.81 | Joback Calculated Property |
| Cp,gas | 595.62 | J/mol×K | 698.64 | Joback Calculated Property |
| Cp,gas | 614.14 | J/mol×K | 733.48 | Joback Calculated Property |
| Cp,gas | 631.79 | J/mol×K | 768.31 | Joback Calculated Property |
| Cp,gas | 648.66 | J/mol×K | 803.14 | Joback Calculated Property |
| Cp,gas | 664.87 | J/mol×K | 837.98 | Joback Calculated Property |
| Cp,gas | 680.52 | J/mol×K | 872.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Caryophyllen-5-ol I.
Sources
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