Chemical Properties of Mitotane (CAS 53-19-0)

Mitotane

InChI
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
InChI Key
JWBOIMRXGHLCPP-UHFFFAOYSA-N
Formula
C14H10Cl4
SMILES
Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1
Molecular Weight1
320.04
CAS
53-19-0
Other Names
  • 1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane
  • 1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
  • 1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane
  • 1,1-dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane
  • 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane
  • 1-(o-chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane
  • 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene
  • 2,2-Bis(2-Chlorophenyl-4-chlorophenyl)-1,1-dichloroethane
  • 2,4'-DDD
  • 2,4'-Dichlorodiphenyldichloroethane
  • 2,4'-Dichlorophenyldichlorethane
  • 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane
  • 2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane
  • Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-
  • CB 313
  • Chloditan
  • Chlodithan
  • Chlodithane
  • DDD-o,p'
  • Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-
  • Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-
  • Khlodithan
  • Lysodren
  • Mitotan
  • NCI-C04933
  • NSC-38721
  • Opeprim
  • ethane, 2,2-dichloro-1-(2-chlorophenyl)-1-(4-chlorophenyl)-
  • o,p'-DDD
  • o,p'-Dichlorodiphenyldichloroethane
  • o,p'-TDE
  • o,p-DDD
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Physical Properties

Property Value Unit Source
ΔfusH° 28.32 kJ/mol High-pressure phase diagram of the drug mitotane in compressed and/or supercritical CO2
log10WS [-6.51; -6.51]   Show Hide
log10WS -6.51 Aq. Solubility Prediction
log10WS -6.51 Estimated Solubility
logPoct/wat 5.929 Crippen Calculated Property
McVol 209.560 ml/mol McGowan Calculated Property
Inp [2116.00; 2146.00]   Show Hide
Inp 2130.00 NIST
Inp 2119.00 NIST
Inp 2123.00 NIST
Inp 2116.00 NIST
Inp 2128.00 NIST
Inp 2119.00 NIST
Inp 2123.00 NIST
Inp 2116.00 NIST
Inp 2128.00 NIST
Inp 2118.00 NIST
Inp 2118.00 NIST
Inp Outlier 2146.00 NIST
Inp Outlier 2146.00 NIST
Inp 2130.00 NIST
Inp 2118.00 NIST
Inp 2119.00 NIST
Inp 2123.00 NIST
Inp 2130.00 NIST
I [3104.00; 3120.00]   Show Hide
I 3104.00 NIST
I 3120.00 NIST
I 3120.00 NIST
I 3104.00 NIST
Tboil 624.48 K Relay (1.0) Calculated Property
Tfus 349.40 ± 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
Cp,gas [472.52; 531.84] J/mol×K [732.08; 995.16] Show Hide
Cp,gas 472.52 J/mol×K 732.08 Joback Calculated Property
Cp,gas 485.05 J/mol×K 775.93 Joback Calculated Property
Cp,gas 496.39 J/mol×K 819.77 Joback Calculated Property
Cp,gas 506.64 J/mol×K 863.62 Joback Calculated Property
Cp,gas 515.90 J/mol×K 907.47 Joback Calculated Property
Cp,gas 524.27 J/mol×K 951.32 Joback Calculated Property
Cp,gas 531.84 J/mol×K 995.16 Joback Calculated Property
η [0.0001153; 0.0013431] Pa×s [415.10; 732.08] Show Hide
η 0.0013431 Pa×s 415.10 Joback Calculated Property
η 0.0007080 Pa×s 467.93 Joback Calculated Property
η 0.0004250 Pa×s 520.76 Joback Calculated Property
η 0.0002803 Pa×s 573.59 Joback Calculated Property
η 0.0001983 Pa×s 626.42 Joback Calculated Property
η 0.0001480 Pa×s 679.25 Joback Calculated Property
η 0.0001153 Pa×s 732.08 Joback Calculated Property

Similar Compounds

o,p'-DDT. 1-(2-Chlorophenyl)-1-(4-chlorophenyl)ethane. 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane. m,p'-DDT. Benzene, 1,1'-(2-chloroethylidene)bis[4-chloro-. BENZENE, 1,1'-(2,2-DICHLOROETHYLIDENE)BIS-. 1-Chloro-3-[1-(4-chlorophenyl)ethyl]benzene. p,p'-DDT. Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-ethyl-. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Fluoro-6-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. Chlorpheniramine M (des-NH2, OH), acetylated. Triazolam M (hydroxy-). 3-Chloro-2-fluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2-Fluoro-6-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester.

Find more compounds similar to Mitotane.

Mixtures

Sources

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