- InChI
- InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9-10,16-17,21H,8,11-14H2,1-6H3/b10-9+,15-7+/t16?,17-,19+,20?/m0/s1
- InChI Key
- FUOYNUQYIXMTMU-KHYUXNBXSA-N
- Formula
- C20H34O
- SMILES
-
CC=C(C)C=CC1C(C)(O)CCC2C(C)(C)
CCCC21C - Molecular Weight1
- 290.48
- 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° | 166.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.92 | kJ/mol | Joback Calculated Property |
| log10WS | -6.10 | Crippen Calculated Property | |
| logPoct/wat | 5.502 | Crippen Calculated Property | |
| McVol | 268.210 | ml/mol | McGowan Calculated Property |
| Pc | 1548.78 | kPa | Joback Calculated Property |
| Inp | 2095.00 | NIST | |
| Tboil | 774.65 | K | Joback Calculated Property |
| Tc | 990.52 | K | Joback Calculated Property |
| Tfus | 432.64 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [858.84; 1009.42] | J/mol×K | [774.65; 990.52] | 
|
| Cp,gas | 858.84 | J/mol×K | 774.65 | Joback Calculated Property |
| Cp,gas | 882.67 | J/mol×K | 810.63 | Joback Calculated Property |
| Cp,gas | 906.55 | J/mol×K | 846.61 | Joback Calculated Property |
| Cp,gas | 930.82 | J/mol×K | 882.59 | Joback Calculated Property |
| Cp,gas | 955.83 | J/mol×K | 918.57 | Joback Calculated Property |
| Cp,gas | 981.92 | J/mol×K | 954.54 | Joback Calculated Property |
| Cp,gas | 1009.42 | J/mol×K | 990.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (11E,13Z)-Labdadien-8-ol.
Sources
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