Chemical Properties of Benzene, 1-bromo-4-(chloromethyl)- (CAS 589-17-3)

Benzene, 1-bromo-4-(chloromethyl)-

InChI
InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
InChI Key
BSIIGUGKOPPTPZ-UHFFFAOYSA-N
Formula
C7H6BrCl
SMILES
ClCc1ccc(Br)cc1
Molecular Weight1
205.48
CAS
589-17-3
Other Names
  • 1-bromo-4-(chloromethyl)benzene
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Physical Properties

Property Value Unit Source
ΔfH°gas 41.21 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 17.02 kJ/mol Joback Calculated Property
ΔvapH° 61.39 kJ/mol Relay (1.0) Calculated Property
IE 8.91 eV Relay (1.0) Calculated Property
log10WS -3.65 Relay (1.0) Calculated Property
logPoct/wat 3.188 Crippen Calculated Property
McVol 115.470 ml/mol McGowan Calculated Property
Tboil 511.00 K NIST
Tfus [314.90; 323.00] K Show Hide
Tfus 323.00 K NIST
Tfus 314.90 ± 4.00 K NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [126.66; 276.24] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.99900e+00
Coefficient B5.75400e-01
Coefficient C-4.12960e-04
Coefficient D1.15800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 126.66 J/mol×K 273.00 Calculated Property
Cp,gas 155.01 J/mol×K 353.78 Calculated Property
Cp,gas 179.56 J/mol×K 434.56 Calculated Property
Cp,gas 200.70 J/mol×K 515.33 Calculated Property
Cp,gas 218.79 J/mol×K 596.11 Calculated Property
Cp,gas 234.19 J/mol×K 676.89 Calculated Property
Cp,gas 247.27 J/mol×K 757.67 Calculated Property
Cp,gas 258.39 J/mol×K 838.44 Calculated Property
Cp,gas 267.93 J/mol×K 919.22 Calculated Property
Cp,gas 276.24 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0015069; 0.0002817] Pa×s [318.95; 514.40] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.09116e+01
Coefficient B1.40782e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.318.95
Temperature range, max.514.40
η 0.0015069 Pa×s 318.95 Calculated Property
η 0.0011373 Pa×s 340.67 Calculated Property
η 0.0008878 Pa×s 362.38 Calculated Property
η 0.0007127 Pa×s 384.10 Calculated Property
η 0.0005858 Pa×s 405.81 Calculated Property
η 0.0004912 Pa×s 427.53 Calculated Property
η 0.0004189 Pa×s 449.25 Calculated Property
η 0.0003625 Pa×s 470.96 Calculated Property
η 0.0003178 Pa×s 492.68 Calculated Property
η 0.0002817 Pa×s 514.40 Calculated Property

Similar Compounds

Benzene, 1-bromo-4-methyl-. Benzene, 1-bromo-3-(chloromethyl)-. [2H8]-1,4-Bis(chloromethyl)benzene. Benzene, 1,4-bis(chloromethyl)-. Benzene, 1-(chloromethyl)-4-methyl-. [2H9]-1-(Chloromethyl)-4-methylbenzene. Benzene, (chloromethyl)-. 2-Bromobenzyl chloride. 4-(CH2Cl)-C6H4-CN. Benzene, 1-(dichloromethyl)-4-methyl-. Benzene, 1-chloro-4-(chloromethyl)-. 4-(Chloromethyl)benzoyl chloride. 4-Trifluoromethylbenzyl chloride. Benzene, 1-(chloromethyl)-4-fluoro-. Benzene, 1,3-bis(chloromethyl)-.

Find more compounds similar to Benzene, 1-bromo-4-(chloromethyl)-.

Sources

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