Chemical Properties of 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane (CAS 72-54-8)

InChI

InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H

InChI Key

AHJKRLASYNVKDZ-UHFFFAOYSA-N

Formula

C14H10Cl4

SMILES

Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1

Molecular Weight¹

320.04

CAS

72-54-8

Other Names

• 1,1-Bis(4-chlorophenyl)-2,2-dichloroethane
• 1,1-Bis(p-Chlorophenyl)-2,2-dichloroethane
• 1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan
• 1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan
• 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane
• 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane p,p'-DDD
• 1,1-Dichloro-2,2-bis(parachlorophenyl)ethane
• 1,1-Dichloro-2,2-di(4-chlorophenyl)ethane
• 1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano
• 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
• 2,2-Bis(4-chlorophenyl)-1,1-dichloroethane
• 2,2-Bis(p-chlorophenyl)-1,1-dichloroethane
• 4,4'-DDD
• Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-
• DDD
• DDD(p,p')
• Dichlorodiphenyldichloroethane
• Dilene
• ENT 4,225
• Ethane, 1,1-dichloro-2,2-bis(4-chlorophenyl)-
• Ethane, 1,1-dichloro-2,2-bis(p-chlorophenyl)-
• ME1700
• NCI-C00475
• NSC 8941
• OMS 1078
• Rcra waste number U060
• Rhothane
• Rhothane D-3
• Rothane
• TDE
• Tetrachlorodiphenylethane
• p,p'-(Dichlorodiphenyl)dichloroethane
• p,p'-DDD
• p,p'-Dichlorodiphenyl-2,2-dichloroethylene
• p,p'-TDE
• p,p-Ddd

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	219.96	kJ/mol	Joback Calculated Property
ΔfH°gas	44.31	kJ/mol	Joback Calculated Property
ΔfusH°	29.06	kJ/mol	Joback Calculated Property
ΔvapH°	69.40	kJ/mol	Joback Calculated Property
log10WS	[-7.20; -7.20]
log10WS	-7.20		Aq. Sol...
log10WS	-7.20		Estimat...
logPoct/wat	5.929		Crippen Calculated Property
McVol	209.560	ml/mol	McGowan Calculated Property
Pc	2351.92	kPa	Joback Calculated Property
Inp	[2196.00; 2272.00]
Inp	Outlier 2272.00		NIST
Inp	2199.00		NIST
Inp	2200.00		NIST
Inp	2196.00		NIST
Inp	2203.00		NIST
Inp	2208.00		NIST
Inp	2196.00		NIST
Inp	2203.00		NIST
Inp	2208.00		NIST
Inp	2213.00		NIST
Inp	2200.00		NIST
Inp	2212.00		NIST
Inp	2200.00		NIST
Inp	Outlier 2272.00		NIST
Inp	2213.00		NIST
I	3310.00		NIST
Tboil	731.88	K	Joback Calculated Property
Tc	994.89	K	Joback Calculated Property
Tfus	[382.30; 383.41]	K
Tfus	382.40	K	Aq. Sol...
Tfus	383.41 ± 0.20	K	NIST
Tfus	382.30 ± 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
ΔfusH	27.31	kJ/mol	382.10	NIST
ΔvapH	88.50	kJ/mol	398.00	NIST

Similar Compounds

Find more compounds similar to 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane.

Sources

• Crippen Method
• 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.