- InChI
- InChI=1S/C20H36O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,15,17-18,21H,6-7,9-14H2,1-5H3/t15-,17?,18?,20-/m0/s1
- InChI Key
- KOHDKFKIPUPNMU-ZPQVWODMSA-N
- Formula
- C20H36O
- SMILES
-
CC1=CCC2C(C)(C)CCCC2(C)C1CCC(C
)CCO - Molecular Weight1
- 292.50
- 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° | 45.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.95 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 5.584 | Crippen Calculated Property | |
| McVol | 272.510 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Inp | [2190.00; 2190.00] |
|
|
| Inp | 2190.00 | NIST | |
| Inp | 2190.00 | NIST | |
| Tboil | 774.58 | K | Joback Calculated Property |
| Tc | 975.39 | K | Joback Calculated Property |
| Tfus | 435.38 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.96; 1014.25] | J/mol×K | [774.58; 975.39] |
|
| Cp,gas | 883.96 | J/mol×K | 774.58 | Joback Calculated Property |
| Cp,gas | 906.20 | J/mol×K | 808.05 | Joback Calculated Property |
| Cp,gas | 927.98 | J/mol×K | 841.52 | Joback Calculated Property |
| Cp,gas | 949.49 | J/mol×K | 874.98 | Joback Calculated Property |
| Cp,gas | 970.91 | J/mol×K | 908.45 | Joback Calculated Property |
| Cp,gas | 992.43 | J/mol×K | 941.92 | Joback Calculated Property |
| Cp,gas | 1014.25 | J/mol×K | 975.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Labd-7-en-15-ol.
Sources
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