- InChI
- InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m1/s1
- InChI Key
- DUEINKIQNGZKPL-WAPOTWQKSA-N
- Formula
- C20H32O
- SMILES
-
C=CC1(C)CCC2C(=CCC3C(C)(CO)CCC
C23C)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° | 178.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.61 | kJ/mol | Joback Calculated Property |
| log10WS | -5.64 | Crippen Calculated Property | |
| logPoct/wat | 5.114 | Crippen Calculated Property | |
| McVol | 257.350 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | [2277.00; 2287.00] |
|
|
| Inp | 2277.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2277.00 | NIST | |
| Tboil | 782.95 | K | Joback Calculated Property |
| Tc | 1004.60 | K | Joback Calculated Property |
| Tfus | 486.94 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [841.59; 993.99] | J/mol×K | [782.95; 1004.60] |
|
| Cp,gas | 841.59 | J/mol×K | 782.95 | Joback Calculated Property |
| Cp,gas | 865.45 | J/mol×K | 819.89 | Joback Calculated Property |
| Cp,gas | 889.43 | J/mol×K | 856.83 | Joback Calculated Property |
| Cp,gas | 913.91 | J/mol×K | 893.78 | Joback Calculated Property |
| Cp,gas | 939.25 | J/mol×K | 930.72 | Joback Calculated Property |
| Cp,gas | 965.82 | J/mol×K | 967.66 | Joback Calculated Property |
| Cp,gas | 993.99 | J/mol×K | 1004.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isopimarinol.
Sources
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