- InChI
- InChI=1S/C5H7Cl/c1-3-5(2)4-6/h3H,1-2,4H2
- InChI Key
- WOZCYBXTBXAJSA-UHFFFAOYSA-N
- Formula
- C5H7Cl
- SMILES
- C=CC(=C)CCl
- Molecular Weight1
- 102.56
- 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.
- 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° | 146.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 78.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.967 | Crippen Calculated Property | |
| McVol | 84.950 | ml/mol | McGowan Calculated Property |
| Pc | 3690.97 | kPa | Joback Calculated Property |
| Inp | 730.00 | NIST | |
| Tboil | 344.47 | K | Joback Calculated Property |
| Tc | 528.29 | K | Joback Calculated Property |
| Tfus | 158.55 | K | Joback Calculated Property |
| Vc | 0.328 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.28; 166.37] | J/mol×K | [344.47; 528.29] | 
|
| Cp,gas | 125.28 | J/mol×K | 344.47 | Joback Calculated Property |
| Cp,gas | 133.07 | J/mol×K | 375.11 | Joback Calculated Property |
| Cp,gas | 140.45 | J/mol×K | 405.74 | Joback Calculated Property |
| Cp,gas | 147.46 | J/mol×K | 436.38 | Joback Calculated Property |
| Cp,gas | 154.11 | J/mol×K | 467.01 | Joback Calculated Property |
| Cp,gas | 160.40 | J/mol×K | 497.65 | Joback Calculated Property |
| Cp,gas | 166.37 | J/mol×K | 528.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butadiene, 2-(chloromethyl).
Sources
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