- InChI
- InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-
- InChI Key
- ACWQBUSCFPJUPN-HYXAFXHYSA-N
- Formula
- C5H8O
- SMILES
- CC=C(C)C=O
- Molecular Weight1
- 84.12
- CAS
- 6038-09-1
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 843.90 | kJ/mol | NIST |
| BasG | 812.10 | kJ/mol | NIST |
| ΔfH°gas | -128.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | NIST |
| logPoct/wat | 1.151 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Tboil | 381.55 | K | Relay (1.0) Calculated Property |
| Tfus | 190.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.10; 173.58] | J/mol×K | [366.70; 552.84] | 
|
| Cp,gas | 130.10 | J/mol×K | 366.70 | Joback Calculated Property |
| Cp,gas | 138.32 | J/mol×K | 397.72 | Joback Calculated Property |
| Cp,gas | 146.12 | J/mol×K | 428.75 | Joback Calculated Property |
| Cp,gas | 153.54 | J/mol×K | 459.77 | Joback Calculated Property |
| Cp,gas | 160.57 | J/mol×K | 490.80 | Joback Calculated Property |
| Cp,gas | 167.25 | J/mol×K | 521.82 | Joback Calculated Property |
| Cp,gas | 173.58 | J/mol×K | 552.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenal,2-methyl-(Z)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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