- InChI
- InChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h6,14,16H,1,5,7-11H2,2-4H3/b13-6-/t14-/m1/s1
- InChI Key
- PAGSXLWQSGUSAH-CNTYAEFGSA-N
- Formula
- C15H26O
- SMILES
- C=C1CCC(O)C(C)=CCCC(C)(C)CC1
- 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).
- 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° | -37.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | [1643.00; 1652.00] |
|
|
| Inp | 1652.00 | NIST | |
| Inp | 1643.00 | NIST | |
| I | [2351.00; 2351.00] |
|
|
| I | 2351.00 | NIST | |
| I | 2351.00 | NIST | |
| Tboil | 674.55 | K | Joback Calculated Property |
| Tc | 889.40 | K | Joback Calculated Property |
| Tfus | 356.03 | K | Joback Calculated Property |
| Vc | 0.754 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.82; 707.83] | J/mol×K | [674.55; 889.40] |
|
| Cp,gas | 596.82 | J/mol×K | 674.55 | Joback Calculated Property |
| Cp,gas | 617.83 | J/mol×K | 710.36 | Joback Calculated Property |
| Cp,gas | 637.75 | J/mol×K | 746.17 | Joback Calculated Property |
| Cp,gas | 656.63 | J/mol×K | 781.97 | Joback Calculated Property |
| Cp,gas | 674.56 | J/mol×K | 817.78 | Joback Calculated Property |
| Cp,gas | 691.61 | J/mol×K | 853.59 | Joback Calculated Property |
| Cp,gas | 707.83 | J/mol×K | 889.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Caryophylla-3,8(15)-dien-5«alpha»-ol.
Sources
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