- InChI
- InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h6H,2-5H2,1H3
- InChI Key
- IWEWQGKFUYQGSN-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- C=C(C=O)CCCC
- Molecular Weight1
- 112.17
- CAS
- 1070-66-2
- Other Names
-
- Hexanal, 2-methylene-
- 2-Butylacrolein
- 2-Methylene-hexanal
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -12.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.31 | 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 | 3195.54 | kPa | Joback Calculated Property |
| Inp | [1130.00; 1130.00] |
|
|
| Inp | 1130.00 | NIST | |
| Inp | 1130.00 | NIST | |
| I | [1160.00; 1160.00] |
|
|
| I | 1160.00 | NIST | |
| I | 1160.00 | NIST | |
| I | 1160.00 | NIST | |
| Tboil | 404.78 | K | Joback Calculated Property |
| Tc | 583.47 | K | Joback Calculated Property |
| Tfus | 194.93 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.95; 258.86] | J/mol×K | [404.78; 583.47] |
|
| Cp,gas | 201.95 | J/mol×K | 404.78 | Joback Calculated Property |
| Cp,gas | 212.54 | J/mol×K | 434.56 | Joback Calculated Property |
| Cp,gas | 222.66 | J/mol×K | 464.34 | Joback Calculated Property |
| Cp,gas | 232.34 | J/mol×K | 494.13 | Joback Calculated Property |
| Cp,gas | 241.60 | J/mol×K | 523.91 | Joback Calculated Property |
| Cp,gas | 250.43 | J/mol×K | 553.69 | Joback Calculated Property |
| Cp,gas | 258.86 | J/mol×K | 583.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-n-Butylacrolein.
Sources
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