- InChI
- InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h4,7-8H,1-2,5H2,3H3
- InChI Key
- AVMGRIXBDWUWFN-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- C=CC(O)CC(=C)C
- Molecular Weight1
- 112.17
- CAS
- 17123-61-4
- 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).
- 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° | 35.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.21 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.499 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Tboil | 444.54 | K | Joback Calculated Property |
| Tc | 617.77 | K | Joback Calculated Property |
| Tfus | 196.99 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.36; 267.91] | J/mol×K | [444.54; 617.77] | 
|
| Cp,gas | 215.36 | J/mol×K | 444.54 | Joback Calculated Property |
| Cp,gas | 225.19 | J/mol×K | 473.41 | Joback Calculated Property |
| Cp,gas | 234.57 | J/mol×K | 502.28 | Joback Calculated Property |
| Cp,gas | 243.52 | J/mol×K | 531.16 | Joback Calculated Property |
| Cp,gas | 252.04 | J/mol×K | 560.03 | Joback Calculated Property |
| Cp,gas | 260.17 | J/mol×K | 588.90 | Joback Calculated Property |
| Cp,gas | 267.91 | J/mol×K | 617.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-1,5-hexadien-3-ol.
Sources
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