Chemical Properties of Butane, 2-chloro- (CAS 78-86-4)

Butane, 2-chloro-

InChI
InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3
InChI Key
BSPCSKHALVHRSR-UHFFFAOYSA-N
Formula
C4H9Cl
SMILES
CCC(C)Cl
Molecular Weight1
92.57
CAS
78-86-4
Other Names
  • 1-METHYLPROPYL CHLORIDE
  • 2-CHLOROBUTANE
  • SEC-BUTYL CHLORIDE
  • UN 1127
  • sec-C4H9Cl
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Physical Properties

Property Value Unit Source
ω 0.3000 KDB
Δcliquid -2685.47 ± 0.95 kJ/mol NIST
μ 2.10 debye KDB
Δf -53.51 kJ/mol KDB
Δfgas [-166.66; -161.60] kJ/mol Show Hide
Δfgas -161.60 kJ/mol KDB
Δfgas -166.66 ± 0.99 kJ/mol NIST
Δfliquid -198.43 ± 0.99 kJ/mol NIST
Δfus 6.79 kJ/mol Joback Calculated Property
Δvap [28.98; 31.77] kJ/mol Show Hide
Δvap 31.68 kJ/mol NIST
Δvap 31.77 ± 0.08 kJ/mol NIST
Δvap 31.53 kJ/mol NIST
Δvap 31.50 ± 0.10 kJ/mol NIST
Δvap 31.60 ± 0.10 kJ/mol NIST
Δvap 31.56 ± 0.06 kJ/mol NIST
Δvap Outlier 28.98 ± 0.06 kJ/mol NIST
IE [10.50; 10.72] eV Show Hide
IE 10.57 ± 0.06 eV NIST
IE 10.59 eV NIST
IE 10.53 eV NIST
IE 10.50 ± 0.10 eV NIST
IE 10.65 ± 0.03 eV NIST
IE 10.72 eV NIST
log10WS [-1.96; -1.96]   Show Hide
log10WS -1.96 Aq. Solubility Prediction
log10WS -1.96 Estimated Solubility
logPoct/wat 2.024 Crippen Calculated Property
McVol 79.460 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
Pc 3950.00 kPa KDB
Inp [582.00; 616.00]   Show Hide
Inp 589.00 NIST
Inp 582.00 NIST
Inp 586.00 NIST
Inp 588.00 NIST
Inp 591.00 NIST
Inp 609.00 NIST
Inp 599.00 NIST
Inp 598.38 NIST
Inp 598.87 NIST
Inp 598.00 NIST
Inp 611.00 NIST
Inp Outlier 616.00 NIST
Inp 601.00 NIST
Inp 601.00 NIST
Inp 601.00 NIST
Inp 601.00 NIST
Inp 598.38 NIST
Tboil [340.85; 342.20] K Show Hide
Tboil 341.40 K KDB
Tboil 341.26 K Study of tetrahydropyran-chlorobutane VLE using the a o and o o approaches
Tboil 341.23 K Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Tboil 341.26 K Vapor-Liquid Equilibrium and Volumetric Measurements for Binary Mixtures of 1,4-Dioxane with Isomeric Chlorobutanes
Tboil Outlier 342.20 K NIST
Tboil 341.40 K NIST
Tboil 340.85 ± 0.60 K NIST
Tboil 341.15 ± 1.50 K NIST
Tboil 341.00 ± 3.00 K NIST
Tboil 340.90 ± 3.00 K NIST
Tboil 341.40 ± 0.20 K NIST
Tboil 341.40 ± 0.30 K NIST
Tc [520.60; 520.60] K Show Hide
Tc 520.60 K KDB
Tc 520.60 K NIST
Tfus [137.58; 141.85] K Show Hide
Tfus 141.80 K KDB
Tfus 137.58 K Aq. Solubility Prediction
Tfus 141.85 ± 0.50 K NIST
Vc 0.305 m3/kmol KDB
Zc 0.2783270 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [118.70; 160.95] J/mol×K [327.91; 504.53] Show Hide
Cp,gas 118.70 J/mol×K 327.91 Joback Calculated Property
Cp,gas 126.45 J/mol×K 357.35 Joback Calculated Property
Cp,gas 133.91 J/mol×K 386.78 Joback Calculated Property
Cp,gas 141.08 J/mol×K 416.22 Joback Calculated Property
Cp,gas 147.98 J/mol×K 445.66 Joback Calculated Property
Cp,gas 154.60 J/mol×K 475.09 Joback Calculated Property
Cp,gas 160.95 J/mol×K 504.53 Joback Calculated Property
Cp,liquid [160.90; 174.00] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 160.90 J/mol×K 298.15 NIST
Cp,liquid 174.00 J/mol×K 298.15 NIST
η [0.0003371; 0.0004631] Pa×s [283.15; 313.15] Show Hide
η 0.0004631 Pa×s 283.15 Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η 0.0004631 Pa×s 283.15 Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η 0.0004365 Pa×s 288.15 Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η 0.0004365 Pa×s 288.15 Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η 0.0004167 Pa×s 293.15 Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η 0.0004167 Pa×s 293.15 Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η 0.0003993 Pa×s 298.15 Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η 0.0003938 Pa×s 298.15 Densities and Viscosities of the Binary Mixtures of Tetrahydrofuran with Isomeric Chlorobutanes at 298.15 K and 313.15 K
η 0.0003993 Pa×s 298.15 Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η 0.0003800 Pa×s 303.15 Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η 0.0003800 Pa×s 303.15 Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η 0.0003615 Pa×s 308.15 Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η 0.0003615 Pa×s 308.15 Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η 0.0003443 Pa×s 313.15 Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η 0.0003443 Pa×s 313.15 Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η 0.0003371 Pa×s 313.15 Densities and Viscosities of the Binary Mixtures of Tetrahydrofuran with Isomeric Chlorobutanes at 298.15 K and 313.15 K
ΔvapH [28.20; 33.10] kJ/mol [292.50; 358.00] Show Hide
ΔvapH 31.80 kJ/mol 292.50 NIST
ΔvapH 30.70 ± 0.10 kJ/mol 313.00 NIST
ΔvapH 33.10 kJ/mol 321.50 NIST
ΔvapH 30.90 kJ/mol 328.00 NIST
ΔvapH 29.90 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 29.20 kJ/mol 341.20 KDB
ΔvapH 29.17 kJ/mol 341.40 NIST
ΔvapH 29.10 ± 0.10 kJ/mol 343.00 NIST
ΔvapH 28.20 ± 0.10 kJ/mol 358.00 NIST
ν [0.0000004; 0.0000005] m2/s [283.15; 313.15] Show Hide
ν 0.0000005 m2/s 283.15 Experimental and Predicted Kinematic Viscosities for Alkane + Chloroalkane Mixtures
ν 0.0000005 m2/s 298.15 Thermophysical Properties of Mixtures of Tetrahydropyran with Chlorobutanes
ν 0.0000005 m2/s 298.15 Viscosities of Binary Mixtures of Isomeric Butanols or Isomeric Chlorobutanes with 2-Methyltetrahydrofuran
ν 0.0000005 m2/s 298.15 Experimental and Predicted Kinematic Viscosities for Alkane + Chloroalkane Mixtures
ν 0.0000004 m2/s 313.15 Thermophysical Properties of Mixtures of Tetrahydropyran with Chlorobutanes
ν 0.0000004 m2/s 313.15 Viscosities of Binary Mixtures of Isomeric Butanols or Isomeric Chlorobutanes with 2-Methyltetrahydrofuran
ν 0.0000004 m2/s 313.15 Experimental and Predicted Kinematic Viscosities for Alkane + Chloroalkane Mixtures
Pvap [13.36; 102.78] kPa [288.15; 341.75] Show Hide
Pvap 13.36 kPa 288.15 Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers
Pvap 13.36 kPa 288.15 Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether
Pvap 13.36 kPa 288.15 Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap 13.36 kPa 288.15 Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions
Pvap 20.91 kPa 298.15 Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions
Pvap 20.91 kPa 298.15 Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers
Pvap 20.91 kPa 298.15 Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether
Pvap 20.91 kPa 298.15 Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap 31.55 kPa 308.15 Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap 31.55 kPa 308.15 Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions
Pvap 31.55 kPa 308.15 Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers
Pvap 31.55 kPa 308.15 Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether
Pvap 48.34 kPa 319.80 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 50.22 kPa 320.75 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 53.30 kPa 322.42 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 59.07 kPa 325.25 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 61.30 kPa 326.25 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 65.21 kPa 328.15 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 74.49 kPa 331.90 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 78.06 kPa 333.25 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 80.00 kPa 334.01 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 83.29 kPa 335.20 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 89.61 kPa 337.34 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 93.45 kPa 338.75 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 96.38 kPa 339.65 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 101.30 kPa 341.23 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
Pvap 102.78 kPa 341.75 Isobaric vapor liquid equilibria for binary systems of butyl chlorides with heptane, toluene and cyclohexane at 101.3, 80.0 and 53.3 kPa
n0 [1.38562; 1.40226]   [283.15; 313.15] Show Hide
n0 1.40226 283.15 Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0 1.39953 288.15 Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0 1.39680 293.15 Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0 1.39404 298.15 Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
n0 1.39404 298.15 Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0 1.39125 303.15 Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0 1.38844 308.15 Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0 1.38573 313.15 Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
n0 1.38562 313.15 Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
ρl [867.37; 873.00] kg/m3 [293.00; 298.15] Show Hide
ρl 873.00 kg/m3 293.00 KDB
ρl 867.37 kg/m3 298.15 Surface Tension of Mixtures of Tetrahydrofuran or Tetrahydropyran with Isomeric Chlorobutanes
ρl 867.37 kg/m3 298.15 Surface study of mixtures containing cyclic ethers and isomeric chlorobutanes
ρl 867.37 kg/m3 298.15 Thermodynamic study of 2-methyl-tetrahydrofuran with isomeric chlorobutanes
γ 0.02 N/m 293.20 KDB

Datasets

Mass density, kg/m3

Fixed Measured
Pressure, kPa - Liquid Temperature, K - Liquid Mass density, kg/m3 - Liquid
100.00 283.15 884.17
100.00 288.15 878.94
100.00 293.15 872.99
100.00 298.15 867.31
100.00 303.15 861.63
100.00 308.15 856.25
100.00 313.15 850.12
100.00 318.15 844.59
100.00 323.15 838.39
100.00 328.15 832.81
2000.00 283.15 886.22
2000.00 288.15 881.0
2000.00 293.15 875.11
2000.00 298.15 869.59
2000.00 303.15 863.89
2000.00 308.15 858.73
2000.00 313.15 852.55
2000.00 318.15 847.15
2000.00 323.15 841.07
2000.00 328.15 835.59
5000.00 283.15 889.26
5000.00 288.15 884.23
5000.00 293.15 878.43
5000.00 298.15 872.97
5000.00 303.15 867.45
5000.00 308.15 862.31
5000.00 313.15 856.44
5000.00 318.15 850.8
5000.00 323.15 845.19
5000.00 328.15 839.88
7000.00 283.15 891.28
7000.00 288.15 886.25
7000.00 293.15 880.56
7000.00 298.15 875.17
7000.00 303.15 869.74
7000.00 308.15 864.71
7000.00 313.15 858.81
7000.00 318.15 853.7
7000.00 323.15 847.87
7000.00 328.15 842.66
10000.00 283.15 894.16
10000.00 288.15 889.3
10000.00 293.15 883.72
10000.00 298.15 878.41
10000.00 303.15 873.12
10000.00 308.15 868.08
10000.00 313.15 862.43
10000.00 318.15 857.33
10000.00 323.15 851.64
10000.00 328.15 846.54
20000.00 283.15 903.34
20000.00 288.15 898.71
20000.00 293.15 893.43
20000.00 298.15 888.39
20000.00 303.15 883.39
20000.00 308.15 878.72
20000.00 313.15 873.34
20000.00 318.15 868.68
20000.00 323.15 863.29
20000.00 328.15 858.56
30000.00 283.15 911.71
30000.00 288.15 907.27
30000.00 293.15 902.22
30000.00 298.15 897.49
30000.00 303.15 892.74
30000.00 308.15 888.3
30000.00 313.15 883.24
30000.00 318.15 878.85
30000.00 323.15 873.67
30000.00 328.15 869.22
40000.00 283.15 919.47
40000.00 288.15 915.2
40000.00 293.15 910.33
40000.00 298.15 905.79
40000.00 303.15 901.25
40000.00 308.15 897.03
40000.00 313.15 892.21
40000.00 318.15 887.93
40000.00 323.15 883.17
40000.00 328.15 878.94
50000.00 283.15 926.7
50000.00 288.15 922.6
50000.00 293.15 917.87
50000.00 298.15 913.53
50000.00 303.15 909.12
50000.00 308.15 905.05
50000.00 313.15 900.48
50000.00 318.15 896.41
50000.00 323.15 891.75
50000.00 328.15 887.7
60000.00 283.15 933.46
60000.00 288.15 929.48
60000.00 293.15 924.95
60000.00 298.15 920.75
60000.00 303.15 916.44
60000.00 308.15 912.57
60000.00 313.15 908.09
60000.00 318.15 904.23
60000.00 323.15 899.75
60000.00 328.15 895.82
65000.00 283.15 936.67
65000.00 288.15 932.78
65000.00 293.15 928.34
65000.00 298.15 924.15
65000.00 303.15 919.96
65000.00 308.15 916.04
65000.00 313.15 911.73
65000.00 318.15 907.86
65000.00 323.15 903.54
65000.00 328.15 899.7
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [246.42; 364.63] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46808e+01
Coefficient B-3.17313e+03
Coefficient C-2.59560e+01
Temperature range, min.246.42
Temperature range, max.364.63
Pvap 1.33 kPa 246.42 Calculated Property
Pvap 3.00 kPa 259.55 Calculated Property
Pvap 6.17 kPa 272.69 Calculated Property
Pvap 11.82 kPa 285.82 Calculated Property
Pvap 21.28 kPa 298.96 Calculated Property
Pvap 36.28 kPa 312.09 Calculated Property
Pvap 59.02 kPa 325.23 Calculated Property
Pvap 92.17 kPa 338.36 Calculated Property
Pvap 138.86 kPa 351.50 Calculated Property
Pvap 202.65 kPa 364.63 Calculated Property
Pvap [3.14e-06; 3884.52] kPa [141.85; 520.60] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A5.80053e+01
Coefficient B-5.45019e+03
Coefficient C-6.53399e+00
Coefficient D5.89810e-06
Temperature range, min.141.85
Temperature range, max.520.60
Pvap 3.14e-06 kPa 141.85 Calculated Property
Pvap 4.09e-03 kPa 183.93 Calculated Property
Pvap 0.29 kPa 226.02 Calculated Property
Pvap 4.79 kPa 268.10 Calculated Property
Pvap 33.63 kPa 310.18 Calculated Property
Pvap 140.83 kPa 352.27 Calculated Property
Pvap 422.67 kPa 394.35 Calculated Property
Pvap 1015.30 kPa 436.43 Calculated Property
Pvap 2093.96 kPa 478.52 Calculated Property
Pvap 3884.52 kPa 520.60 Calculated Property

Similar Compounds

(R)-(-)-2-chlorobutane. Sec-C4H9Cl. Pentane, 3-chloro-. Butane, 1,3-dichloro-. rac-2,3-Dichlorobutane. Butane, 2,3-dichloro-. Butane, 2,3-dichloro-, (R*,S*)-. Butane, 2,3-dichloro-, (R*,R*)-(.+/-.)-. Butane, 1,2-dichloro-. Pentane, 2-chloro-. Butane, 2,2-dichloro-. Butanenitrile, 2-chloro-. Butane, 1-chloro-. 3-Chlorohexane. Butane, 2-chloro-3-methyl-.

Find more compounds similar to Butane, 2-chloro-.

Mixtures

Find more mixtures with Butane, 2-chloro-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.