- InChI
- InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3
- InChI Key
- STNJBCKSHOAVAJ-UHFFFAOYSA-N
- Formula
- C4H6O
- SMILES
- C=C(C)C=O
- Molecular Weight1
- 70.09
- CAS
- 78-85-3
- Other Names
-
- .alpha.-methylacrolein
- 2-Methylacrolein
- 2-Methylenepropanal
- 2-Methylprop-2-enal
- 2-Propenal, 2-methyl-
- 2-methyl-2-propenal
- 2-methylpropenal
- Acrolein, 2-methyl-
- CH2=C(CH3)CHO
- Isobutenal
- Methacraldehyde
- Methacrylic aldehyde
- Methakrylaldehyd
- Methylacroleine
- Methylacrylaldehyde
- NSC 8260
- methacrylaldehyde
- «alpha»-Methacrolein
- «alpha»-Methylacrolein
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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.
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 808.70 | kJ/mol | NIST |
| BasG | 776.80 | kJ/mol | NIST |
| ΔcH°liquid | -2293.00 ± 1.90 | kJ/mol | NIST |
| ΔfG° | -37.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -106.40 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -138.60 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 5.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.20 | kJ/mol | NIST |
| IE | 9.92 | eV | NIST |
| log10WS | -0.63 | Crippen Calculated Property | |
| logPoct/wat | 0.761 | Crippen Calculated Property | |
| McVol | 64.490 | ml/mol | McGowan Calculated Property |
| Pc | 4559.21 | kPa | Joback Calculated Property |
| Inp | [531.00; 577.00] |
|
|
| Inp | 543.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 566.00 | NIST | |
| Inp | 568.40 | NIST | |
| Inp | 552.70 | NIST | |
| Inp | 553.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 577.00 | NIST | |
| Inp | 574.00 | NIST | |
| Inp | 556.00 | NIST | |
| Inp | Outlier 531.00 | NIST | |
| I | [883.00; 893.00] |
|
|
| I | 893.00 | NIST | |
| I | 885.00 | NIST | |
| I | 883.00 | NIST | |
| I | 891.00 | NIST | |
| I | 884.00 | NIST | |
| Tboil | [341.60; 342.15] | K |
|
| Tboil | 341.60 | K | NIST |
| Tboil | 342.15 | K | NIST |
| Tc | 516.54 | K | Joback Calculated Property |
| Tfus | 192.15 | K | NIST |
| Vc | 0.259 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.74; 133.48] | J/mol×K | [336.14; 516.54] |
|
| Cp,gas | 99.74 | J/mol×K | 336.14 | Joback Calculated Property |
| Cp,gas | 106.03 | J/mol×K | 366.21 | Joback Calculated Property |
| Cp,gas | 112.04 | J/mol×K | 396.27 | Joback Calculated Property |
| Cp,gas | 117.78 | J/mol×K | 426.34 | Joback Calculated Property |
| Cp,gas | 123.26 | J/mol×K | 456.41 | Joback Calculated Property |
| Cp,gas | 128.49 | J/mol×K | 486.48 | Joback Calculated Property |
| Cp,gas | 133.48 | J/mol×K | 516.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methacrolein.
Mixtures
- Diisopropyl ether + Methacrolein
- Benzene + Methacrolein
- Methacrolein + 2-Propenoic acid, 2-methyl- + Water
Sources
- Crippen Method
- Crippen Method
- Experimental and predicted excess molar enthalpies of binary mixtures containing 2,2'-oxybis[propane], benzene, butan-1-ol, 2-methylpropan-1-ol, 2-methyl-2-ene-1-propanol at 303.15 K
- Phase Equilibrium Measurements of the Methacrolein-Methacrylic Acid-Water Ternary System at 101.3 kPa
- 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.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.