- InChI
- InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h9-11,19-21H,1,6-8,12-14H2,2-5H3/b16-10+,17-9-,18-11-/t19-,20+/m0/s1
- InChI Key
- JMLCJQLPSRCUBV-PJRVNRGZSA-N
- Formula
- C20H32O
- SMILES
-
C=C(C)C1CCC(C)=CCCC(C)=CCC=C(C
)C(O)C1 - Molecular Weight1
- 288.47
- 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.
- 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° | 40.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.56 | kJ/mol | Joback Calculated Property |
| log10WS | -6.64 | Crippen Calculated Property | |
| logPoct/wat | 5.733 | Crippen Calculated Property | |
| McVol | 270.470 | ml/mol | McGowan Calculated Property |
| Pc | 1521.12 | kPa | Joback Calculated Property |
| Inp | 2192.00 | NIST | |
| Tboil | 807.20 | K | Joback Calculated Property |
| Tc | 1027.70 | K | Joback Calculated Property |
| Tfus | 375.08 | K | Joback Calculated Property |
| Vc | 0.983 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.18; 952.51] | J/mol×K | [807.20; 1027.70] | 
|
| Cp,gas | 854.18 | J/mol×K | 807.20 | Joback Calculated Property |
| Cp,gas | 875.34 | J/mol×K | 843.95 | Joback Calculated Property |
| Cp,gas | 894.62 | J/mol×K | 880.70 | Joback Calculated Property |
| Cp,gas | 911.99 | J/mol×K | 917.45 | Joback Calculated Property |
| Cp,gas | 927.44 | J/mol×K | 954.20 | Joback Calculated Property |
| Cp,gas | 940.95 | J/mol×K | 990.95 | Joback Calculated Property |
| Cp,gas | 952.51 | J/mol×K | 1027.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (1R,3S)-cembra-4,7,11,15-tetraen-3-ol.
Sources
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