- InChI
- InChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h7-9H,1,5H2,2-4H3
- InChI Key
- LCBOFRBFVBROGF-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- C=C(C)CC(O)C(C)C
- Molecular Weight1
- 128.21
- CAS
- 67760-91-2
- 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).
- 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 | 0.5440 | Relay (... Calculated Property | |
| ΔfG° | -45.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.88 | kJ/mol | Relay (... Calculated Property |
| IE | 9.33 | eV | Relay (... Calculated Property |
| log10WS | -1.30 | Relay (... Calculated Property | |
| logPoct/wat | 1.969 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Tboil | 429.77 | K | Relay (... Calculated Property |
| Tc | 608.41 | K | Relay (... Calculated Property |
| Tfus | 235.16 | K | Relay (... Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.13; 336.46] | J/mol×K | [470.30; 642.58] | 
|
| Cp,gas | 273.13 | J/mol×K | 470.30 | Joback Calculated Property |
| Cp,gas | 284.90 | J/mol×K | 499.01 | Joback Calculated Property |
| Cp,gas | 296.15 | J/mol×K | 527.73 | Joback Calculated Property |
| Cp,gas | 306.92 | J/mol×K | 556.44 | Joback Calculated Property |
| Cp,gas | 317.22 | J/mol×K | 585.15 | Joback Calculated Property |
| Cp,gas | 327.06 | J/mol×K | 613.87 | Joback Calculated Property |
| Cp,gas | 336.46 | J/mol×K | 642.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethyl-5-hexen-3-ol.
Sources
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