- InChI
- InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3
- InChI Key
- VZGLVCFVUREVDP-UHFFFAOYSA-N
- Formula
- C4H7Cl
- SMILES
- C=CC(C)Cl
- Molecular Weight1
- 90.55
- CAS
- 563-52-0
- Other Names
-
- 1-METHYLALLYL CHLORIDE
- 2-Chloro-3-butene
- 3-CHLORO-1-BUTENE
- 3-chlorobut-1-ene
- ALPHA-METHALLYL CHLORIDE
- «alpha»-Methallyl chloride
- «alpha»-Methylallyl chloride
- «gamma»-Chloro-«alpha»-butylene
- «alpha»-Methallyl chloride
- «alpha»-Methylallyl chloride
- «gamma»-Chloro-«alpha»-butylene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 56.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.61 | kJ/mol | NIST |
| ΔfusH° | 5.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.83 | kJ/mol | Joback Calculated Property |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 1.800 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Inp | 576.00 | NIST | |
| Tboil | 324.59 | K | Joback Calculated Property |
| Tc | 505.07 | K | Joback Calculated Property |
| Tfus | 148.00 | K | Joback Calculated Property |
| Vc | 0.283 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [106.50; 144.37] | J/mol×K | [324.59; 505.07] | 
|
| Cp,gas | 106.50 | J/mol×K | 324.59 | Joback Calculated Property |
| Cp,gas | 113.56 | J/mol×K | 354.67 | Joback Calculated Property |
| Cp,gas | 120.31 | J/mol×K | 384.75 | Joback Calculated Property |
| Cp,gas | 126.76 | J/mol×K | 414.83 | Joback Calculated Property |
| Cp,gas | 132.91 | J/mol×K | 444.91 | Joback Calculated Property |
| Cp,gas | 138.77 | J/mol×K | 474.99 | Joback Calculated Property |
| Cp,gas | 144.37 | J/mol×K | 505.07 | Joback Calculated Property |
| η | [0.0002580; 0.0054737] | Pa×s | [148.00; 324.59] |
|
| η | 0.0054737 | Pa×s | 148.00 | Joback Calculated Property |
| η | 0.0021566 | Pa×s | 177.43 | Joback Calculated Property |
| η | 0.0011075 | Pa×s | 206.86 | Joback Calculated Property |
| η | 0.0006715 | Pa×s | 236.30 | Joback Calculated Property |
| η | 0.0004548 | Pa×s | 265.73 | Joback Calculated Property |
| η | 0.0003330 | Pa×s | 295.16 | Joback Calculated Property |
| η | 0.0002580 | Pa×s | 324.59 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 203.75] | kPa | [242.29; 360.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43521e+01 | |||
| Coefficient B | -2.99395e+03 | |||
| Coefficient C | -2.94150e+01 | |||
| Temperature range, min. | 242.29 | |||
| Temperature range, max. | 360.78 | |||
| Pvap | 1.33 | kPa | 242.29 | Calculated Property |
| Pvap | 3.02 | kPa | 255.46 | Calculated Property |
| Pvap | 6.27 | kPa | 268.62 | Calculated Property |
| Pvap | 12.05 | kPa | 281.79 | Calculated Property |
| Pvap | 21.69 | kPa | 294.95 | Calculated Property |
| Pvap | 36.95 | kPa | 308.12 | Calculated Property |
| Pvap | 59.99 | kPa | 321.28 | Calculated Property |
| Pvap | 93.40 | kPa | 334.45 | Calculated Property |
| Pvap | 140.20 | kPa | 347.61 | Calculated Property |
| Pvap | 203.75 | kPa | 360.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 3-chloro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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