- InChI
- InChI=1S/C10H16O/c1-5-9(2)7-6-8-10(3,4)11/h5-8,11H,1H2,2-4H3/b8-6+,9-7-
- InChI Key
- HYBLHNGOEIJQDA-FFELTBSMSA-N
- Formula
- C10H16O
- SMILES
- C=CC(C)=CC=CC(C)(C)O
- Molecular Weight1
- 152.23
- Other Names
-
- 2,6-Dimethyl-3(E),5(Z)-7-octatriene-2-ol
- 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 | 0.5485 | Relay (... Calculated Property | |
| ΔfG° | 139.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.46 | eV | Relay (... Calculated Property |
| log10WS | -1.83 | Relay (... Calculated Property | |
| logPoct/wat | 2.446 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| I | [1815.00; 1815.00] |
|
|
| I | 1815.00 | NIST | |
| I | 1815.00 | NIST | |
| I | 1815.00 | NIST | |
| Tboil | 465.99 | K | Relay (... Calculated Property |
| Tc | 654.73 | K | Relay (... Calculated Property |
| Tfus | 315.03 | K | Relay (... Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.09; 395.55] | J/mol×K | [522.03; 709.57] |
|
| Cp,gas | 329.09 | J/mol×K | 522.03 | Joback Calculated Property |
| Cp,gas | 341.99 | J/mol×K | 553.29 | Joback Calculated Property |
| Cp,gas | 354.09 | J/mol×K | 584.54 | Joback Calculated Property |
| Cp,gas | 365.44 | J/mol×K | 615.80 | Joback Calculated Property |
| Cp,gas | 376.09 | J/mol×K | 647.06 | Joback Calculated Property |
| Cp,gas | 386.11 | J/mol×K | 678.32 | Joback Calculated Property |
| Cp,gas | 395.55 | J/mol×K | 709.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethyl-3 (E),5 (Z),7-octatrien-2-ol.
Sources
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