Chemical Properties of p,p'-DDE (CAS 72-55-9)

InChI

InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H

InChI Key

UCNVFOCBFJOQAL-UHFFFAOYSA-N

Formula

C14H8Cl4

SMILES

ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

318.02

CAS

72-55-9

Other Names

• 1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)
• 1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene
• 1,1-Dichloro-2,2-Bis(p-chlorophenyl)ethylene
• 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene (p,p'-DDE)
• 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene
• 1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene
• 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
• 2,2-Bis(4-chlorophenyl)-1,1-dichloroethene
• 2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene
• 2,2-Bis(p-chlorophenyl)-1,1-dichloroethylene
• 4,4'-DDE
• Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-
• DDE
• DDE(p,p')
• DDT dehydrochloride
• Dichlorodiphenyldichloroethylene
• Ethylene, 1,1-dichloro-2,2-bis(p-chlorophenyl)-
• NCI-C00555
• NSC 1153
• p,p'-(Dichlorodiphenyl)-2,2-dichloroethylene
• p,p'-Dichlorodiphenyldichloroethylene
• p,p-Dde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 : 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	157.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.69	kJ/mol	Joback Calculated Property
ΔvapH°	85.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	[-6.90; -6.90]
log10WS	-6.90		Aq. Solubility Prediction
log10WS	-6.90		Estimated Solubility
logPoct/wat	6.188		Crippen Calculated Property
McVol	205.260	ml/mol	McGowan Calculated Property
Inp	[362.90; 2208.00]
Inp	2180.00		NIST
Inp	2132.00		NIST
Inp	2136.00		NIST
Inp	2130.00		NIST
Inp	2113.00		NIST
Inp	2116.00		NIST
Inp	2111.00		NIST
Inp	2120.00		NIST
Inp	2113.00		NIST
Inp	2117.00		NIST
Inp	2116.00		NIST
Inp	2121.00		NIST
Inp	2112.00		NIST
Inp	2208.00		NIST
Inp	2196.00		NIST
Inp	2192.00		NIST
Inp	2111.00		NIST
Inp	2110.00		NIST
Inp	2130.00		NIST
Inp	2130.00		NIST
Inp	Outlier 362.90		NIST
Inp	2180.00		NIST
Inp	2208.00		NIST
Inp	2196.00		NIST
Inp	2130.00		NIST
Inp	2113.00		NIST
Inp	2117.00		NIST
I	2990.00		NIST
Tboil	623.98	K	Relay (1.0) Calculated Property
Tfus	[360.56; 363.00]	K
Tfus	360.56 ± 0.20	K	NIST
Tfus	363.00 ± 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.93; 501.91]	J/mol×K	[736.88; 1009.16]
Cp,gas	445.93	J/mol×K	736.88	Joback Calculated Property
Cp,gas	457.53	J/mol×K	782.26	Joback Calculated Property
Cp,gas	468.03	J/mol×K	827.64	Joback Calculated Property
Cp,gas	477.59	J/mol×K	873.02	Joback Calculated Property
Cp,gas	486.33	J/mol×K	918.40	Joback Calculated Property
Cp,gas	494.39	J/mol×K	963.78	Joback Calculated Property
Cp,gas	501.91	J/mol×K	1009.16	Joback Calculated Property
ΔfusH	23.55	kJ/mol	360.40	NIST
ΔvapH	87.20	kJ/mol	398.00	NIST

Similar Compounds

Find more compounds similar to p,p'-DDE.

Sources

• 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.
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