- InChI
- InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h5-6H,3-4H2,1-2H3/b7-5+
- InChI Key
- BRLKFSODKAIVGM-FNORWQNLSA-N
- Formula
- C7H12O
- SMILES
- CCCC=C(C)C=O
- Molecular Weight1
- 112.17
- CAS
- 28467-88-1
- Other Names
-
- (E)-2-Methyl-2-hexenal
- 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° | -19.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.93 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Inp | 884.00 | NIST | |
| Tboil | 412.26 | K | Joback Calculated Property |
| Tc | 596.19 | K | Joback Calculated Property |
| Tfus | 191.61 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.71; 259.72] | J/mol×K | [412.26; 596.19] | 
|
| Cp,gas | 201.71 | J/mol×K | 412.26 | Joback Calculated Property |
| Cp,gas | 212.62 | J/mol×K | 442.92 | Joback Calculated Property |
| Cp,gas | 223.00 | J/mol×K | 473.57 | Joback Calculated Property |
| Cp,gas | 232.88 | J/mol×K | 504.23 | Joback Calculated Property |
| Cp,gas | 242.28 | J/mol×K | 534.88 | Joback Calculated Property |
| Cp,gas | 251.22 | J/mol×K | 565.54 | Joback Calculated Property |
| Cp,gas | 259.72 | J/mol×K | 596.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexenal, 2-methyl-.
Sources
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