- InChI
- InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+
- InChI Key
- IDEYZABHVQLHAF-GQCTYLIASA-N
- Formula
- C6H10O
- SMILES
- CCC=C(C)C=O
- Molecular Weight1
- 98.14
- CAS
- 14250-96-5
- Other Names
-
- (E)-2-Methylpent-2-enal
- trans-2-methyl-2-penten-1-al
- (E)-2-methyl-2-pentenal
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.3172 | Relay (1.0) Calculated Property | |
| ΔfG° | -28.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [810.00; 831.00] |
|
|
| Inp | 820.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 820.00 | NIST | |
| I | [1153.00; 1176.00] |
|
|
| I | 1176.00 | NIST | |
| I | 1176.00 | NIST | |
| I | Outlier 1153.00 | NIST | |
| I | 1176.00 | NIST | |
| I | 1165.00 | NIST | |
| I | 1175.00 | NIST | |
| I | 1176.00 | NIST | |
| I | 1175.00 | NIST | |
| Tboil | 402.10 | K | Relay (1.0) Calculated Property |
| Tc | 616.40 | K | Relay (1.0) Calculated Property |
| Tfus | 187.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.341 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.75; 215.85] | J/mol×K | [389.58; 574.81] |
|
| Cp,gas | 164.75 | J/mol×K | 389.58 | Joback Calculated Property |
| Cp,gas | 174.38 | J/mol×K | 420.45 | Joback Calculated Property |
| Cp,gas | 183.54 | J/mol×K | 451.32 | Joback Calculated Property |
| Cp,gas | 192.24 | J/mol×K | 482.20 | Joback Calculated Property |
| Cp,gas | 200.52 | J/mol×K | 513.07 | Joback Calculated Property |
| Cp,gas | 208.38 | J/mol×K | 543.94 | Joback Calculated Property |
| Cp,gas | 215.85 | J/mol×K | 574.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-(E)-2-pentenal.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
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