- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.1858 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.61 | kJ/mol | NIST |
| ΔfusH° | 5.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.63 | Relay (1.0) 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; 576.00] |
|
|
| Inp | 576.00 | NIST | |
| Inp | 576.00 | NIST | |
| Tboil | [336.15; 339.15] | K |
|
| Tboil | 337.70 | K | NIST |
| Tboil | 337.05 ± 0.70 | K | NIST |
| Tboil | 336.15 ± 1.50 | K | NIST |
| Tboil | 337.15 ± 1.00 | K | NIST |
| Tboil | 336.15 ± 2.00 | K | NIST |
| Tboil | 337.15 ± 2.00 | K | NIST |
| Tboil | 337.15 ± 2.00 | K | NIST |
| Tboil | Outlier 339.15 ± 2.00 | K | NIST |
| Tc | 508.00 | K | Relay (1.0) Calculated Property |
| Tfus | 143.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.276 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [93.62; 205.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 7.47000e+00 | |||
| Coefficient B | 3.76520e-01 | |||
| Coefficient C | -2.40300e-04 | |||
| Coefficient D | 6.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 93.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 130.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 146.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 159.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 171.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 181.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 190.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 198.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 205.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054737; 0.0002089] | Pa×s | [148.00; 353.76] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08231e+01 | |||
| Coefficient B | 8.31060e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 148.00 | |||
| Temperature range, max. | 353.76 | |||
| η | 0.0054737 | Pa×s | 148.00 | Calculated Property |
| η | 0.0025821 | Pa×s | 170.86 | Calculated Property |
| η | 0.0014544 | Pa×s | 193.73 | Calculated Property |
| η | 0.0009247 | Pa×s | 216.59 | Calculated Property |
| η | 0.0006411 | Pa×s | 239.45 | Calculated Property |
| η | 0.0004737 | Pa×s | 262.31 | Calculated Property |
| η | 0.0003675 | Pa×s | 285.18 | Calculated Property |
| η | 0.0002960 | Pa×s | 308.04 | Calculated Property |
| η | 0.0002457 | Pa×s | 330.90 | Calculated Property |
| η | 0.0002089 | Pa×s | 353.76 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 203.75] | kPa | [242.29; 360.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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