- 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/h15,17-18,21H,2,6-14H2,1,3-5H3/t15-,17?,18?,20-/m0/s1
- InChI Key
- MRGUZWPTZWRQKP-ZPQVWODMSA-N
- Formula
- C20H36O
- SMILES
-
C=C1CCC2C(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° | 78.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.16 | 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 | 1440.25 | kPa | Joback Calculated Property |
| Inp | [2180.00; 2180.00] |
|
|
| Inp | 2180.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Tboil | 769.60 | K | Joback Calculated Property |
| Tc | 969.48 | K | Joback Calculated Property |
| Tfus | 435.78 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.91; 1012.85] | J/mol×K | [769.60; 969.48] |
|
| Cp,gas | 882.91 | J/mol×K | 769.60 | Joback Calculated Property |
| Cp,gas | 905.21 | J/mol×K | 802.91 | Joback Calculated Property |
| Cp,gas | 927.01 | J/mol×K | 836.23 | Joback Calculated Property |
| Cp,gas | 948.49 | J/mol×K | 869.54 | Joback Calculated Property |
| Cp,gas | 969.83 | J/mol×K | 902.86 | Joback Calculated Property |
| Cp,gas | 991.22 | J/mol×K | 936.17 | Joback Calculated Property |
| Cp,gas | 1012.85 | J/mol×K | 969.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Labd-8(17)-en-15-ol (Ladenol).
Sources
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