- InChI
- InChI=1S/C14H20O/c1-10-8-11(2)13(7-6-12(3)15)14(4,5)9-10/h6,8,12,15H,1,9H2,2-5H3
- InChI Key
- HMJCYYDLWBSIQE-UHFFFAOYSA-N
- Formula
- C14H20O
- SMILES
-
C=C1C=C(C)C(=C=CC(C)O)C(C)(C)C
1 - Molecular Weight1
- 204.31
- 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).
- 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 | 0.5161 | Relay (... Calculated Property | |
| ΔfG° | 193.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.05 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.96 | kJ/mol | Relay (... Calculated Property |
| IE | 8.14 | eV | Relay (... Calculated Property |
| log10WS | -2.39 | Relay (... Calculated Property | |
| logPoct/wat | 3.381 | Crippen Calculated Property | |
| McVol | 185.930 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| I | [2630.00; 2630.00] |
|
|
| I | 2630.00 | NIST | |
| I | 2630.00 | NIST | |
| I | 2630.00 | NIST | |
| Tboil | 535.71 | K | Relay (... Calculated Property |
| Tc | 731.30 | K | Relay (... Calculated Property |
| Tfus | 319.75 | K | Relay (... Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.48; 570.46] | J/mol×K | [644.46; 850.76] |
|
| Cp,gas | 487.48 | J/mol×K | 644.46 | Joback Calculated Property |
| Cp,gas | 502.73 | J/mol×K | 678.84 | Joback Calculated Property |
| Cp,gas | 517.30 | J/mol×K | 713.23 | Joback Calculated Property |
| Cp,gas | 531.27 | J/mol×K | 747.61 | Joback Calculated Property |
| Cp,gas | 544.72 | J/mol×K | 781.99 | Joback Calculated Property |
| Cp,gas | 557.76 | J/mol×K | 816.37 | Joback Calculated Property |
| Cp,gas | 570.46 | J/mol×K | 850.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-oxoretro-7,8-dehydro-«alpha»-ionol.
Sources
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