- InChI
- InChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h4-5,9H,6H2,1-3H3
- InChI Key
- YZDKYYZSTTWZDN-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- CC=C(C)C=C(C)CO
- Molecular Weight1
- 126.20
- 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.
- 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 | 0.5536 | Relay (... Calculated Property | |
| ΔfG° | 23.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.55 | kJ/mol | Relay (... Calculated Property |
| IE | 8.05 | eV | Relay (... Calculated Property |
| log10WS | -1.57 | Relay (... Calculated Property | |
| logPoct/wat | 1.891 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Inp | [1010.00; 1010.00] |
|
|
| Inp | 1010.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Tboil | 471.40 | K | Relay (... Calculated Property |
| Tc | 659.96 | K | Relay (... Calculated Property |
| Tfus | 254.89 | K | Relay (... Calculated Property |
| Vc | 0.421 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.05; 314.66] | J/mol×K | [482.70; 663.05] |
|
| Cp,gas | 256.05 | J/mol×K | 482.70 | Joback Calculated Property |
| Cp,gas | 267.16 | J/mol×K | 512.76 | Joback Calculated Property |
| Cp,gas | 277.68 | J/mol×K | 542.82 | Joback Calculated Property |
| Cp,gas | 287.66 | J/mol×K | 572.87 | Joback Calculated Property |
| Cp,gas | 297.13 | J/mol×K | 602.93 | Joback Calculated Property |
| Cp,gas | 306.12 | J/mol×K | 632.99 | Joback Calculated Property |
| Cp,gas | 314.66 | J/mol×K | 663.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl-2,4-hexadien-1-ol, not E,E, # 1.
Sources
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