- InChI
- InChI=1S/C6H9ClO/c1-3-6(4-8)5(2)7/h4H,3H2,1-2H3/b6-5-
- InChI Key
- REMTVJDIMSEOCW-WAYWQWQTSA-N
- Formula
- C6H9ClO
- SMILES
- CCC(C=O)=C(C)Cl
- Molecular Weight1
- 132.59
- 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° | -48.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 2.108 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Inp | [954.60; 954.60] |
|
|
| Inp | 954.60 | NIST | |
| Inp | 954.60 | NIST | |
| I | [1296.30; 1296.30] |
|
|
| I | 1296.30 | NIST | |
| I | 1296.30 | NIST | |
| Tboil | 426.69 | K | Joback Calculated Property |
| Tc | 623.27 | K | Joback Calculated Property |
| Tfus | 196.30 | K | Joback Calculated Property |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.03; 238.00] | J/mol×K | [426.69; 623.27] |
|
| Cp,gas | 189.03 | J/mol×K | 426.69 | Joback Calculated Property |
| Cp,gas | 198.41 | J/mol×K | 459.45 | Joback Calculated Property |
| Cp,gas | 207.26 | J/mol×K | 492.22 | Joback Calculated Property |
| Cp,gas | 215.63 | J/mol×K | 524.98 | Joback Calculated Property |
| Cp,gas | 223.52 | J/mol×K | 557.74 | Joback Calculated Property |
| Cp,gas | 230.97 | J/mol×K | 590.50 | Joback Calculated Property |
| Cp,gas | 238.00 | J/mol×K | 623.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to E-3-Chloro-2-ethyl-but-2-enal.
Sources
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