Chemical Properties of o,p'-DDT (CAS 789-02-6)

o,p'-DDT

InChI
InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
InChI Key
CVUGPAFCQJIYDT-UHFFFAOYSA-N
Formula
C14H9Cl5
SMILES
Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1
Molecular Weight1
354.49
CAS
789-02-6
Other Names
  • (.+/-.)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane
  • 1,1,1-Trichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane
  • 1,1,1-Trichloro-2-(4-chlorophenyl)-2-(2-chlorophenyl)ethane (p,o'-DDT)
  • 1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
  • 1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloro ethane
  • 1-Chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
  • 1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene
  • 2,2,2,o,p'-pentachloroethylidenebisbenzene
  • 2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane
  • 2,4'-DDT
  • 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane
  • Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-
  • DDT-o,p'
  • Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-
  • Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1,1-trichloro-
  • NSC 33446
  • NSC 57644
  • o,p-DDT
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Physical Properties

Property Value Unit Source
ΔfusH° 29.37 kJ/mol Joback Calculated Property
log10WS -6.62 Aq. Solubility Prediction
logPoct/wat 6.495 Crippen Calculated Property
McVol 221.800 ml/mol McGowan Calculated Property
Inp [2199.00; 2220.00]   Show Hide
Inp 2199.00 NIST
Inp 2220.00 NIST
Ip 3127.00 NIST
Tboil 635.46 K Relay (1.0) Calculated Property
Tfus [346.97; 349.00] K Show Hide
Tfus 348.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 347.75 K Aq. Solubility Prediction
Tfus 346.97 ± 0.20 K NIST
Tfus 349.00 ± 0.20 K NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 23.09 kJ/mol 345.80 NIST
ΔvapH 88.60 kJ/mol 398.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [258.31; 541.83] 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-1.07500e+01
Coefficient B1.22270e+00
Coefficient C-9.43120e-04
Coefficient D2.73000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 258.31 J/mol×K 273.00 Calculated Property
Cp,gas 315.86 J/mol×K 353.78 Calculated Property
Cp,gas 364.89 J/mol×K 434.56 Calculated Property
Cp,gas 406.25 J/mol×K 515.33 Calculated Property
Cp,gas 440.81 J/mol×K 596.11 Calculated Property
Cp,gas 469.43 J/mol×K 676.89 Calculated Property
Cp,gas 492.98 J/mol×K 757.67 Calculated Property
Cp,gas 512.32 J/mol×K 838.44 Calculated Property
Cp,gas 528.32 J/mol×K 919.22 Calculated Property
Cp,gas 541.83 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0065022; 0.0001079] Pa×s [347.97; 729.12] 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-1.28753e+01
Coefficient B2.72796e+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.347.97
Temperature range, max.729.12
η 0.0065022 Pa×s 347.97 Calculated Property
η 0.0027774 Pa×s 390.32 Calculated Property
η 0.0014013 Pa×s 432.67 Calculated Property
η 0.0007987 Pa×s 475.02 Calculated Property
η 0.0004992 Pa×s 517.37 Calculated Property
η 0.0003349 Pa×s 559.72 Calculated Property
η 0.0002377 Pa×s 602.07 Calculated Property
η 0.0001765 Pa×s 644.42 Calculated Property
η 0.0001360 Pa×s 686.77 Calculated Property
η 0.0001079 Pa×s 729.12 Calculated Property

Similar Compounds

Mitotane. m,p'-DDT. 1-(2-Chlorophenyl)-1-(4-chlorophenyl)ethane. p,p'-DDT. 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane. Benzene, 1,1'-(2-chloroethylidene)bis[4-chloro-. 1-Chloro-3-[1-(4-chlorophenyl)ethyl]benzene. BENZENE, 1,1'-(2,2-DICHLOROETHYLIDENE)BIS-. DPE. Benzenemethanol, 2-chloro-«alpha»-(4-chlorophenyl)-«alpha»-(trichloromethyl)-. Ethane, 2-(p-bromophenyl)-1,1,1-trichloro-2-phenyl-. Triphenylmethane, 2,4'-dichloro. Triphenylmethane, 2,4',4''-trichloro. Benzene, 1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]-. Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-ethyl-.

Find more compounds similar to o,p'-DDT.

Sources

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