- InChI
- InChI=1S/C19H34O/c1-14(2)8-9-16-18(5)12-7-11-17(3,4)15(18)10-13-19(16,6)20/h15-16,20H,1,7-13H2,2-6H3/t15?,16-,18+,19?/m0/s1
- InChI Key
- CGEGZBVTMKRZJY-DPCKTDSQSA-N
- Formula
- C19H34O
- SMILES
-
C=C(C)CCC1C(C)(O)CCC2C(C)(C)CC
CC21C - Molecular Weight1
- 278.47
- 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.
- I : 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 | 0.5830 | Relay (... Calculated Property | |
| ΔfG° | 85.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.34 | kJ/mol | Relay (... Calculated Property |
| IE | 8.76 | eV | Relay (... Calculated Property |
| log10WS | -4.84 | Relay (... Calculated Property | |
| logPoct/wat | 5.336 | Crippen Calculated Property | |
| McVol | 258.420 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Inp | [1952.00; 1952.00] |
|
|
| Inp | 1952.00 | NIST | |
| Inp | 1952.00 | NIST | |
| I | [2448.00; 2448.00] |
|
|
| I | 2448.00 | NIST | |
| I | 2448.00 | NIST | |
| Tboil | 608.45 | K | Relay (... Calculated Property |
| Tc | 827.28 | K | Relay (... Calculated Property |
| Tfus | 347.51 | K | Relay (... Calculated Property |
| Vc | 0.894 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [820.11; 959.30] | J/mol×K | [740.13; 948.07] |
|
| Cp,gas | 820.11 | J/mol×K | 740.13 | Joback Calculated Property |
| Cp,gas | 843.09 | J/mol×K | 774.79 | Joback Calculated Property |
| Cp,gas | 865.78 | J/mol×K | 809.44 | Joback Calculated Property |
| Cp,gas | 888.46 | J/mol×K | 844.10 | Joback Calculated Property |
| Cp,gas | 911.42 | J/mol×K | 878.76 | Joback Calculated Property |
| Cp,gas | 934.94 | J/mol×K | 913.42 | Joback Calculated Property |
| Cp,gas | 959.30 | J/mol×K | 948.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 15-nor-Labdan-8-ol.
Sources
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