- InChI
- InChI=1S/C5H7ClO/c1-4(3-7)5(2)6/h3H,1-2H3/b5-4+
- InChI Key
- XFCGFNVPTTYOND-SNAWJCMRSA-N
- Formula
- C5H7ClO
- SMILES
- CC(Cl)=C(C)C=O
- Molecular Weight1
- 118.56
- 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° | -57.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.95 | kJ/mol | Joback Calculated Property |
| log10WS | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 1.718 | Crippen Calculated Property | |
| McVol | 90.820 | ml/mol | McGowan Calculated Property |
| Pc | 3911.14 | kPa | Joback Calculated Property |
| Inp | [961.90; 961.90] |
|
|
| Inp | 961.90 | NIST | |
| Inp | 961.90 | NIST | |
| I | 1383.50 | NIST | |
| Tboil | 403.81 | K | Joback Calculated Property |
| Tc | 602.25 | K | Joback Calculated Property |
| Tfus | 185.03 | K | Joback Calculated Property |
| Vc | 0.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.80; 194.37] | J/mol×K | [403.81; 602.25] |
|
| Cp,gas | 152.80 | J/mol×K | 403.81 | Joback Calculated Property |
| Cp,gas | 160.80 | J/mol×K | 436.88 | Joback Calculated Property |
| Cp,gas | 168.34 | J/mol×K | 469.96 | Joback Calculated Property |
| Cp,gas | 175.45 | J/mol×K | 503.03 | Joback Calculated Property |
| Cp,gas | 182.14 | J/mol×K | 536.10 | Joback Calculated Property |
| Cp,gas | 188.44 | J/mol×K | 569.18 | Joback Calculated Property |
| Cp,gas | 194.37 | J/mol×K | 602.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to E-3-Chloro-2-methyl-but-2-enal.
Sources
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