- InChI
- InChI=1S/C5H7Cl/c1-4(2)5(3)6/h1,3H2,2H3
- InChI Key
- PKVRTDNAPQGMGP-UHFFFAOYSA-N
- Formula
- C5H7Cl
- SMILES
- C=C(C)C(=C)Cl
- Molecular Weight1
- 102.56
- CAS
- 1809-02-5
- Other Names
-
- 2-chloro-3-methyl-1,3-butadiene
- 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).
- Pvap : Vapor 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° | 137.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 69.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.93 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 2.315 | Crippen Calculated Property | |
| McVol | 84.950 | ml/mol | McGowan Calculated Property |
| Pc | 3713.49 | kPa | Joback Calculated Property |
| Inp | 683.00 | NIST | |
| Tboil | 344.35 | K | Joback Calculated Property |
| Tc | 532.11 | K | Joback Calculated Property |
| Tfus | 144.59 | K | Joback Calculated Property |
| Vc | 0.329 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.33; 166.98] | J/mol×K | [344.35; 532.11] | 
|
| Cp,gas | 125.33 | J/mol×K | 344.35 | Joback Calculated Property |
| Cp,gas | 133.25 | J/mol×K | 375.64 | Joback Calculated Property |
| Cp,gas | 140.75 | J/mol×K | 406.94 | Joback Calculated Property |
| Cp,gas | 147.86 | J/mol×K | 438.23 | Joback Calculated Property |
| Cp,gas | 154.59 | J/mol×K | 469.52 | Joback Calculated Property |
| Cp,gas | 160.95 | J/mol×K | 500.81 | Joback Calculated Property |
| Cp,gas | 166.98 | J/mol×K | 532.11 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [264.92; 399.92] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.35725e+01 | |||
| Coefficient B | -2.94898e+03 | |||
| Coefficient C | -4.29400e+01 | |||
| Temperature range, min. | 264.92 | |||
| Temperature range, max. | 399.92 | |||
| Pvap | 1.33 | kPa | 264.92 | Calculated Property |
| Pvap | 3.09 | kPa | 279.92 | Calculated Property |
| Pvap | 6.48 | kPa | 294.92 | Calculated Property |
| Pvap | 12.51 | kPa | 309.92 | Calculated Property |
| Pvap | 22.52 | kPa | 324.92 | Calculated Property |
| Pvap | 38.19 | kPa | 339.92 | Calculated Property |
| Pvap | 61.56 | kPa | 354.92 | Calculated Property |
| Pvap | 94.98 | kPa | 369.92 | Calculated Property |
| Pvap | 141.06 | kPa | 384.92 | Calculated Property |
| Pvap | 202.66 | kPa | 399.92 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butadiene, 2-chloro-3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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