- InChI
- InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17?,18?,20-/m0/s1
- InChI Key
- KPOGKOXAZMFZNM-RRHIHBEPSA-N
- Formula
- C20H34O
- SMILES
-
CC(=CCO)CCC1C(C)=CCC2C(C)(C)CC
CC12C - Molecular Weight1
- 290.48
- 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 | 0.6389 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.504 | Crippen Calculated Property | |
| McVol | 268.210 | ml/mol | McGowan Calculated Property |
| Pc | 1497.67 | kPa | Joback Calculated Property |
| Inp | 2280.00 | NIST | |
| Tboil | 629.29 | K | Relay (1.0) Calculated Property |
| Tc | 857.69 | K | Relay (1.0) Calculated Property |
| Tfus | 321.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.894 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [858.87; 989.37] | J/mol×K | [779.06; 985.17] | 
|
| Cp,gas | 858.87 | J/mol×K | 779.06 | Joback Calculated Property |
| Cp,gas | 880.81 | J/mol×K | 813.41 | Joback Calculated Property |
| Cp,gas | 902.39 | J/mol×K | 847.76 | Joback Calculated Property |
| Cp,gas | 923.82 | J/mol×K | 882.11 | Joback Calculated Property |
| Cp,gas | 945.31 | J/mol×K | 916.47 | Joback Calculated Property |
| Cp,gas | 967.09 | J/mol×K | 950.82 | Joback Calculated Property |
| Cp,gas | 989.37 | J/mol×K | 985.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to labd-7,13-dien-15-ol.
Sources
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