- InChI
- InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,13-14,16H,6-9H2,1-4H3/b11-5-,12-10-/t13-,14-/m0/s1
- InChI Key
- AHWWWENJXIHBBP-HFNNDJBXSA-N
- Formula
- C15H24O
- SMILES
- CC1=CCC2C(=C(C)CCC1O)CC2(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).
- 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° | 17.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.49 | Crippen Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| I | 2392.00 | NIST | |
| Tboil | 678.44 | K | Joback Calculated Property |
| Tc | 889.36 | K | Joback Calculated Property |
| Tfus | 396.65 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.76; 675.83] | J/mol×K | [678.44; 889.36] | 
|
| Cp,gas | 574.76 | J/mol×K | 678.44 | Joback Calculated Property |
| Cp,gas | 593.47 | J/mol×K | 713.59 | Joback Calculated Property |
| Cp,gas | 611.28 | J/mol×K | 748.75 | Joback Calculated Property |
| Cp,gas | 628.31 | J/mol×K | 783.90 | Joback Calculated Property |
| Cp,gas | 644.67 | J/mol×K | 819.05 | Joback Calculated Property |
| Cp,gas | 660.47 | J/mol×K | 854.20 | Joback Calculated Property |
| Cp,gas | 675.83 | J/mol×K | 889.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Caryophylla-2(12),6-dien-5 «beta»-ol (=Caryophylladienol II).
Sources
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