- InChI
- InChI=1S/C20H34O/c1-7-14(2)9-10-16-15(3)17(21)13-18-19(4,5)11-8-12-20(16,18)6/h7,15-18,21H,1-2,8-13H2,3-6H3/t15-,16+,17?,18?,20-/m1/s1
- InChI Key
- QOHASKVMQCQLLB-WIVQHQACSA-N
- Formula
- C20H34O
- SMILES
-
C=CC(=C)CCC1C(C)C(O)CC2C(C)(C)
CCCC12C - 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° | 179.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 5.358 | Crippen Calculated Property | |
| McVol | 268.210 | ml/mol | McGowan Calculated Property |
| Pc | 1435.89 | kPa | Joback Calculated Property |
| Inp | [2101.00; 2120.00] |
|
|
| Inp | 2120.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Inp | 2107.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Tboil | 754.78 | K | Joback Calculated Property |
| Tc | 957.87 | K | Joback Calculated Property |
| Tfus | 411.14 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.46; 992.89] | J/mol×K | [754.78; 957.87] |
|
| Cp,gas | 861.46 | J/mol×K | 754.78 | Joback Calculated Property |
| Cp,gas | 884.23 | J/mol×K | 788.63 | Joback Calculated Property |
| Cp,gas | 906.40 | J/mol×K | 822.48 | Joback Calculated Property |
| Cp,gas | 928.15 | J/mol×K | 856.33 | Joback Calculated Property |
| Cp,gas | 949.69 | J/mol×K | 890.18 | Joback Calculated Property |
| Cp,gas | 971.21 | J/mol×K | 924.02 | Joback Calculated Property |
| Cp,gas | 992.89 | J/mol×K | 957.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13(16),14-Labdien-8-ol.
Sources
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