Chemical Properties of Benzene, 2,4-dichloro-1-(chloromethyl)- (CAS 94-99-5)

Benzene, 2,4-dichloro-1-(chloromethyl)-

InChI
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChI Key
IRSVDHPYXFLLDS-UHFFFAOYSA-N
Formula
C7H5Cl3
SMILES
ClCc1ccc(Cl)cc1Cl
Molecular Weight1
195.47
CAS
94-99-5
Other Names
  • 2,4-Dichloro-1-(chloromethyl)benzene
  • 2,4-Dichlorobenzyl chloride
  • Toluene, «alpha»2,4-trichloro-
  • Toluene, «alpha»2,4-trichloro-
  • «alpha»,2,4-Trichlorotoluene
  • «alpha»,2,4-Trichlorotoluene
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Physical Properties

Property Value Unit Source
ω 0.3960 Relay (1.0) Calculated Property
ΔfG° 65.42 kJ/mol Joback Calculated Property
ΔfH°gas -31.30 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 19.74 kJ/mol Joback Calculated Property
ΔvapH° 62.07 kJ/mol Relay (1.0) Calculated Property
IE 9.00 eV Relay (1.0) Calculated Property
log10WS -4.02 Relay (1.0) Calculated Property
logPoct/wat 3.732 Crippen Calculated Property
McVol 122.450 ml/mol McGowan Calculated Property
Pc 3460.21 kPa Joback Calculated Property
Inp 1314.50 NIST
Tboil 521.20 K NIST
Tc 748.77 K Relay (1.0) Calculated Property
Tfus 271.00 ± 0.02 K NIST
Vc 0.439 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [208.02; 251.62] J/mol×K [508.49; 743.54] Show Hide
Cp,gas 208.02 J/mol×K 508.49 Joback Calculated Property
Cp,gas 216.67 J/mol×K 547.67 Joback Calculated Property
Cp,gas 224.73 J/mol×K 586.84 Joback Calculated Property
Cp,gas 232.23 J/mol×K 626.02 Joback Calculated Property
Cp,gas 239.19 J/mol×K 665.19 Joback Calculated Property
Cp,gas 245.65 J/mol×K 704.37 Joback Calculated Property
Cp,gas 251.62 J/mol×K 743.54 Joback Calculated Property
η [0.0002870; 0.0017070] Pa×s [309.87; 508.49] Show Hide
η 0.0017070 Pa×s 309.87 Joback Calculated Property
η 0.0010988 Pa×s 342.97 Joback Calculated Property
η 0.0007643 Pa×s 376.08 Joback Calculated Property
η 0.0005638 Pa×s 409.18 Joback Calculated Property
η 0.0004353 Pa×s 442.28 Joback Calculated Property
η 0.0003484 Pa×s 475.39 Joback Calculated Property
η 0.0002870 Pa×s 508.49 Joback Calculated Property
ΔvapH 54.60 kJ/mol 495.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [381.92; 556.66] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38187e+01
Coefficient B-4.00371e+03
Coefficient C-8.60300e+01
Temperature range, min.381.92
Temperature range, max.556.66
Pvap 1.33 kPa 381.92 Calculated Property
Pvap 3.07 kPa 401.34 Calculated Property
Pvap 6.41 kPa 420.75 Calculated Property
Pvap 12.34 kPa 440.17 Calculated Property
Pvap 22.21 kPa 459.58 Calculated Property
Pvap 37.72 kPa 479.00 Calculated Property
Pvap 60.94 kPa 498.41 Calculated Property
Pvap 94.30 kPa 517.83 Calculated Property
Pvap 140.54 kPa 537.24 Calculated Property
Pvap 202.66 kPa 556.66 Calculated Property

Similar Compounds

Benzene, 1-chloro-2-(chloromethyl)-. Benzene, 2-chloro-1,4-bis-(chloromethyl). [2H8]-2-Chloro-1-(Chloromethyl)-4-methylbenzene. Benzene, 1,2-dichloro-4-(chloromethyl)-. Benzene, 2,4-dichloro-1-methyl-. 3-Chloro-4-methylbenzyl chloride. [2H8]-3-Chloro-1-(Chloromethyl)-4-methylbenzene. Benzene, 4-chloro-3-(chloromethyl)-1-methyl. Benzene, 1-chloro-4-(chloromethyl)-. Benzene, 2-chloro-5-(chloromethyl)-1-methyl. Benzene, 1,3-dichloro-2-(chloromethyl)-. Benzene, 1-chloro-3-(chloromethyl)-. 2,4-Dichloro-alpha-iodo toluene. Benzene, 2,4-dichloro-1-(trichloromethyl)-. chlorotoluene.

Find more compounds similar to Benzene, 2,4-dichloro-1-(chloromethyl)-.

Sources

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