- 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)c
c1 - 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 219.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 44.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.32 | kJ/mol | High-pr... |
| ΔvapH° | 69.40 | kJ/mol | Joback Calculated Property |
| log10WS | [-6.51; -6.51] |
|
|
| log10WS | -6.51 | Aq. Sol... | |
| log10WS | -6.51 | Estimat... | |
| logPoct/wat | 5.929 | Crippen Calculated Property | |
| McVol | 209.560 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | [2116.00; 2146.00] |
|
|
| 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 | 2119.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Inp | 2118.00 | NIST | |
| Inp | 2130.00 | NIST | |
| I | [3104.00; 3120.00] |
|
|
| I | 3104.00 | NIST | |
| I | 3120.00 | NIST | |
| I | 3120.00 | NIST | |
| I | 3104.00 | NIST | |
| Tboil | 731.88 | K | Joback Calculated Property |
| Tc | 994.89 | K | Joback Calculated Property |
| Tfus | 349.40 ± 0.20 | K | NIST |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.46; 531.79] | J/mol×K | [731.88; 994.89] |
|
| Cp,gas | 472.46 | J/mol×K | 731.88 | Joback Calculated Property |
| Cp,gas | 484.99 | J/mol×K | 775.72 | Joback Calculated Property |
| Cp,gas | 496.33 | J/mol×K | 819.55 | Joback Calculated Property |
| Cp,gas | 506.59 | J/mol×K | 863.39 | Joback Calculated Property |
| Cp,gas | 515.85 | J/mol×K | 907.22 | Joback Calculated Property |
| Cp,gas | 524.22 | J/mol×K | 951.06 | Joback Calculated Property |
| Cp,gas | 531.79 | J/mol×K | 994.89 | Joback Calculated Property |
| η | [0.0001154; 0.0013431] | Pa×s | [415.10; 731.88] |
|
| η | 0.0013431 | Pa×s | 415.10 | Joback Calculated Property |
| η | 0.0007083 | Pa×s | 467.90 | Joback Calculated Property |
| η | 0.0004253 | Pa×s | 520.69 | Joback Calculated Property |
| η | 0.0002805 | Pa×s | 573.49 | Joback Calculated Property |
| η | 0.0001984 | Pa×s | 626.29 | Joback Calculated Property |
| η | 0.0001482 | Pa×s | 679.08 | Joback Calculated Property |
| η | 0.0001154 | Pa×s | 731.88 | Joback Calculated Property |
Similar Compounds
![1-Chloro-3-[1-(4-chlorophenyl)ethyl]benzene.](data:image/png;base64,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)
Find more compounds similar to Mitotane.
Mixtures
Sources
- Crippen Method
- High-pressure phase diagram of the drug mitotane in compressed and/or supercritical CO2
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.