- InChI
- InChI=1S/C9H16O/c1-7(2)5-9(10)6-8(3)4/h9-10H,1,3,5-6H2,2,4H3
- InChI Key
- BUCLVUABDUWMHW-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- C=C(C)CC([O])CC(=C)C
- Molecular Weight1
- 140.22
- CAS
- 29765-76-2
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.4179 | Relay (... Calculated Property | |
| ΔfG° | 29.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -218.79 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 53.80 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -2.62 | Relay (... Calculated Property | |
| logPoct/wat | 2.718 | Crippen Calculated Property | |
| McVol | 132.790 | ml/mol | McGowan Calculated Property |
| Pc | 2976.81 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 444.70 | K | Relay (... Calculated Property |
| Tc | 623.72 | K | Relay (... Calculated Property |
| Tfus | 238.65 | K | Relay (... Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethyl-1,6-heptadien-4-ol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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