- InChI
- InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
- InChI Key
- OSDWBNJEKMUWAV-UHFFFAOYSA-N
- Formula
- C3H5Cl
- SMILES
- C=CCCl
- Molecular Weight1
- 76.53
- CAS
- 107-05-1
- Other Names
-
- 1-CHLORO-2-PROPENE
- 1-Chloropropene-2
- 1-Propene, 3-chloro-
- 2-PROPENYL CHLORIDE
- 3-Chloro-1-propene
- 3-Chloro-1-propylene
- 3-Chloropropene
- 3-Chloropropene-1
- 3-Chloropropylene
- 3-Chlorpropen
- 3-chloropropene (allyl chloride)
- Allile(cloruro di)
- Allylchlorid
- Allyle(chlorure d')
- CH2=CHCH2Cl
- Chlorallylene
- Chloroallylene
- NCI-C04615
- NSC 20939
- Propene, 3-chloro-
- UN 1100
- «alpha»-Chloropropylene
- «alpha»-Chloropropylene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- n0 : Refractive Index.
- 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° | 50.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5.60 | kJ/mol | NIST |
| ΔfusH° | 6.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.90 | kJ/mol | NIST |
| IE | [9.90; 10.34] | eV |
|
| IE | 10.05 ± 0.01 | eV | NIST |
| IE | 10.05 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 10.04 ± 0.01 | eV | NIST |
| IE | 10.05 | eV | NIST |
| IE | 10.05 | eV | NIST |
| IE | 10.34 | eV | NIST |
| IE | 10.20 | eV | NIST |
| IE | 10.34 | eV | NIST |
| log10WS | -1.36 | Aq. Sol... | |
| logPoct/wat | 1.411 | Crippen Calculated Property | |
| McVol | 61.070 | ml/mol | McGowan Calculated Property |
| Pc | 4438.52 | kPa | Joback Calculated Property |
| Inp | [495.00; 526.00] |
|
|
| Inp | 516.00 | NIST | |
| Inp | 495.00 | NIST | |
| Inp | 500.00 | NIST | |
| Inp | 526.00 | NIST | |
| Inp | 498.00 | NIST | |
| Inp | 526.00 | NIST | |
| Inp | 526.00 | NIST | |
| Tboil | [317.45; 318.90] | K |
|
| Tboil | 318.30 | K | KDB |
| Tboil | 318.20 | K | NIST |
| Tboil | 318.00 | K | NIST |
| Tboil | 318.30 ± 0.40 | K | NIST |
| Tboil | 318.30 ± 0.30 | K | NIST |
| Tboil | 318.15 ± 0.30 | K | NIST |
| Tboil | Outlier 317.45 ± 0.50 | K | NIST |
| Tboil | 318.30 ± 0.30 | K | NIST |
| Tboil | 318.30 ± 0.50 | K | NIST |
| Tboil | 318.25 ± 0.20 | K | NIST |
| Tboil | Outlier 318.90 ± 0.50 | K | NIST |
| Tboil | 317.75 ± 0.30 | K | NIST |
| Tboil | 318.60 ± 0.50 | K | NIST |
| Tc | 514.00 | K | KDB |
| Tfus | [136.75; 138.65] | K |
|
| Tfus | 138.60 | K | KDB |
| Tfus | 138.53 | K | Aq. Sol... |
| Tfus | 138.65 ± 0.50 | K | NIST |
| Tfus | 136.75 ± 0.40 | K | NIST |
| Vc | 0.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [78.06; 105.54] | J/mol×K | [302.15; 477.44] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 80 85 90 95 100 105 300 350 400 450 | ||||
| Cp,gas | 78.06 | J/mol×K | 302.15 | Joback Calculated Property |
| Cp,gas | 83.18 | J/mol×K | 331.37 | Joback Calculated Property |
| Cp,gas | 88.07 | J/mol×K | 360.58 | Joback Calculated Property |
| Cp,gas | 92.74 | J/mol×K | 389.80 | Joback Calculated Property |
| Cp,gas | 97.21 | J/mol×K | 419.01 | Joback Calculated Property |
| Cp,gas | 101.47 | J/mol×K | 448.23 | Joback Calculated Property |
| Cp,gas | 105.54 | J/mol×K | 477.44 | Joback Calculated Property |
| Cp,liquid | 125.10 | J/mol×K | 298.00 | NIST |
| η | [0.0002377; 0.0023556] | Pa×s | [151.73; 302.15] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 150 200 250 300 | ||||
| η | 0.0023556 | Pa×s | 151.73 | Joback Calculated Property |
| η | 0.0012256 | Pa×s | 176.80 | Joback Calculated Property |
| η | 0.0007501 | Pa×s | 201.87 | Joback Calculated Property |
| η | 0.0005116 | Pa×s | 226.94 | Joback Calculated Property |
| η | 0.0003766 | Pa×s | 252.01 | Joback Calculated Property |
| η | 0.0002930 | Pa×s | 277.08 | Joback Calculated Property |
| η | 0.0002377 | Pa×s | 302.15 | Joback Calculated Property |
| ΔvapH | [30.00; 33.10] | kJ/mol | [260.50; 301.50] |
|
| ΔvapH | 33.10 | kJ/mol | 260.50 | NIST |
| ΔvapH | 30.00 | kJ/mol | 301.50 | NIST |
| Pvap | [55.00; 489.25] | kPa | [298.88; 373.10] |
|
|
T(K) Vapor pressure (kPa) 100 200 300 400 500 300 320 340 360 | ||||
| Pvap | 55.00 | kPa | 298.88 | Vapor L... |
| Pvap | 75.00 | kPa | 308.19 | Vapor L... |
| Pvap | 90.00 | kPa | 313.35 | Vapor L... |
| Pvap | 125.00 | kPa | 323.13 | Vapor L... |
| Pvap | 126.00 | kPa | 323.19 | Vapor L... |
| Pvap | 126.00 | kPa | 323.75 | Vapor L... |
| Pvap | 164.65 | kPa | 333.15 | Vapor-L... |
| Pvap | 173.00 | kPa | 333.47 | Vapor L... |
| Pvap | 228.00 | kPa | 343.12 | Vapor L... |
| Pvap | 233.00 | kPa | 343.83 | Vapor L... |
| Pvap | 294.00 | kPa | 352.30 | Vapor L... |
| Pvap | 301.00 | kPa | 353.05 | Vapor L... |
| Pvap | 389.00 | kPa | 363.03 | Vapor L... |
| Pvap | 454.00 | kPa | 369.15 | Vapor L... |
| Pvap | 489.25 | kPa | 373.10 | Vapor-L... |
| n0 | 1.41550 | 293.00 | Liquid-... | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 4739.62] | kPa | [230.74; 514.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38315e+01 | |||
| Coefficient B | -2.52007e+03 | |||
| Coefficient C | -4.46710e+01 | |||
| Temperature range, min. | 230.74 | |||
| Temperature range, max. | 514.15 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 300 400 500 | ||||
| Pvap | 1.33 | kPa | 230.74 | Calculated Property |
| Pvap | 9.47 | kPa | 262.23 | Calculated Property |
| Pvap | 40.97 | kPa | 293.72 | Calculated Property |
| Pvap | 127.56 | kPa | 325.21 | Calculated Property |
| Pvap | 315.80 | kPa | 356.70 | Calculated Property |
| Pvap | 662.13 | kPa | 388.19 | Calculated Property |
| Pvap | 1225.97 | kPa | 419.68 | Calculated Property |
| Pvap | 2063.30 | kPa | 451.17 | Calculated Property |
| Pvap | 3222.09 | kPa | 482.66 | Calculated Property |
| Pvap | 4739.62 | kPa | 514.15 | Calculated Property |
| Pvap | [3.32e-05; 4507.77] | kPa | [138.65; 514.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.00180e+01 | |||
| Coefficient B | -4.11134e+03 | |||
| Coefficient C | -2.16341e+00 | |||
| Coefficient D | -3.89227e-07 | |||
| Temperature range, min. | 138.65 | |||
| Temperature range, max. | 514.15 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 200 300 400 500 | ||||
| Pvap | 3.32e-05 | kPa | 138.65 | Calculated Property |
| Pvap | 0.02 | kPa | 180.37 | Calculated Property |
| Pvap | 0.82 | kPa | 222.09 | Calculated Property |
| Pvap | 10.44 | kPa | 263.82 | Calculated Property |
| Pvap | 63.21 | kPa | 305.54 | Calculated Property |
| Pvap | 238.79 | kPa | 347.26 | Calculated Property |
| Pvap | 657.23 | kPa | 388.98 | Calculated Property |
| Pvap | 1448.31 | kPa | 430.71 | Calculated Property |
| Pvap | 2714.80 | kPa | 472.43 | Calculated Property |
| Pvap | 4507.77 | kPa | 514.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl chloride.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Liquid-Liquid Equilibria for the Epichlorohydrin + Water + Methanol and Allyl Chloride + Water + Methanol Systems
- Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Vapor Liquid Equilibria of the Binary System 1,5-Hexadiene + Allyl Chloride
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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