- InChI
- InChI=1S/C11H18O/c1-8(2)7-10(9(3)4)11(5,6)12/h12H,3H2,1-2,4-6H3
- InChI Key
- OOYJYXZAXCOHEW-UHFFFAOYSA-N
- Formula
- C11H18O
- SMILES
- C=C(C)C(=C=C(C)C)C(C)(C)O
- Molecular Weight1
- 166.26
- CAS
- 15448-75-6
- Other Names
-
- 3-Isopropenyl-2,5-dimethyl-3,4-hexadien-2-ol
- 3,4-Hexadien-2-ol, 2,5-dimethyl-3-(1-methylethenyl)
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 178.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -55.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 2.825 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Inp | [1446.00; 1446.00] |
|
|
| Inp | 1446.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Tboil | 543.78 | K | Joback Calculated Property |
| Tc | 737.66 | K | Joback Calculated Property |
| Tfus | 234.76 | K | Joback Calculated Property |
| Vc | 0.604 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.28; 450.14] | J/mol×K | [543.78; 737.66] |
|
| Cp,gas | 377.28 | J/mol×K | 543.78 | Joback Calculated Property |
| Cp,gas | 391.23 | J/mol×K | 576.09 | Joback Calculated Property |
| Cp,gas | 404.40 | J/mol×K | 608.41 | Joback Calculated Property |
| Cp,gas | 416.83 | J/mol×K | 640.72 | Joback Calculated Property |
| Cp,gas | 428.57 | J/mol×K | 673.03 | Joback Calculated Property |
| Cp,gas | 439.66 | J/mol×K | 705.35 | Joback Calculated Property |
| Cp,gas | 450.14 | J/mol×K | 737.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Hexadien-2-ol, 3-isopropenyl-2,5-dimethyl-.
Sources
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