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_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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	43.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.06	kJ/mol	Joback Calculated Property
ΔvapH°	90.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	[-7.20; -7.20]
log10WS	-7.20		Aq. Solubility Prediction
log10WS	-7.20		Estimated Solubility
logPoct/wat	5.929		Crippen Calculated Property
McVol	209.560	ml/mol	McGowan 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	2213.00		NIST
Inp	Outlier 2272.00		NIST
Ip	3310.00		NIST
Tboil	625.27	K	Relay (1.0) Calculated Property
Tfus	[382.30; 383.41]	K
Tfus	382.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	382.40	K	Aq. Solubility Prediction
Tfus	383.41 ± 0.20	K	NIST
Tfus	382.30 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.05; 532.63]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.50000e-01
Coefficient B			1.09600e+00
Coefficient C			-7.54120e-04
Coefficient D			1.91600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.05	J/mol×K	273.00	Calculated Property
Cp,gas	300.99	J/mol×K	353.78	Calculated Property
Cp,gas	348.74	J/mol×K	434.56	Calculated Property
Cp,gas	389.91	J/mol×K	515.33	Calculated Property
Cp,gas	425.10	J/mol×K	596.11	Calculated Property
Cp,gas	454.92	J/mol×K	676.89	Calculated Property
Cp,gas	479.98	J/mol×K	757.67	Calculated Property
Cp,gas	500.88	J/mol×K	838.44	Calculated Property
Cp,gas	518.23	J/mol×K	919.22	Calculated Property
Cp,gas	532.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021732; 0.0001358]	Pa×s	[382.63; 696.61]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22835e+01
Coefficient B			2.35392e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			382.63
Temperature range, max.			696.61
η	0.0021732	Pa×s	382.63	Calculated Property
η	0.0012997	Pa×s	417.51	Calculated Property
η	0.0008415	Pa×s	452.40	Calculated Property
η	0.0005798	Pa×s	487.29	Calculated Property
η	0.0004198	Pa×s	522.18	Calculated Property
η	0.0003166	Pa×s	557.06	Calculated Property
η	0.0002468	Pa×s	591.95	Calculated Property
η	0.0001978	Pa×s	626.84	Calculated Property
η	0.0001623	Pa×s	661.73	Calculated Property
η	0.0001358	Pa×s	696.61	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.