- 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/h15,18,21H,6-14H2,1-5H3/t15-,18?,20-/m0/s1
- InChI Key
- XKPWXFGNKDNUCP-JSFUQZLZSA-N
- Formula
- C20H36O
- SMILES
-
CC1=C(CCC(C)CCO)C2(C)CCCC(C)(C
)C2CC1 - Molecular Weight1
- 292.50
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6890 | Relay (... Calculated Property | |
| ΔfG° | 43.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.18 | kJ/mol | Relay (... Calculated Property |
| IE | 8.13 | eV | Relay (... Calculated Property |
| log10WS | -5.20 | Relay (... Calculated Property | |
| logPoct/wat | 5.728 | Crippen Calculated Property | |
| McVol | 272.510 | ml/mol | McGowan Calculated Property |
| Pc | 1462.37 | kPa | Joback Calculated Property |
| Inp | 2216.00 | NIST | |
| Tboil | 629.55 | K | Relay (... Calculated Property |
| Tc | 853.89 | K | Relay (... Calculated Property |
| Tfus | 320.57 | K | Relay (... Calculated Property |
| Vc | 0.933 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.66; 1011.62] | J/mol×K | [784.23; 986.10] | 
|
| Cp,gas | 881.66 | J/mol×K | 784.23 | Joback Calculated Property |
| Cp,gas | 903.59 | J/mol×K | 817.87 | Joback Calculated Property |
| Cp,gas | 925.16 | J/mol×K | 851.52 | Joback Calculated Property |
| Cp,gas | 946.56 | J/mol×K | 885.16 | Joback Calculated Property |
| Cp,gas | 967.98 | J/mol×K | 918.81 | Joback Calculated Property |
| Cp,gas | 989.60 | J/mol×K | 952.45 | Joback Calculated Property |
| Cp,gas | 1011.62 | J/mol×K | 986.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Labd-8-en-15-ol.
Sources
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