p,p'-DDT

InChI

InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H

InChI Key

YVGGHNCTFXOJCH-UHFFFAOYSA-N

Formula

C14H9Cl5

SMILES

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

Molecular Weight¹

354.49

Other Names

1,1'-(2,2,2,-Trichloroethylidene)bis[4-chlorobenzene]
1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan
1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan
1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane
1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane (pp'DDT)
1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane
1,1,1-Trichloro-2,2-di(4-chlorophenyl)ethane
1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano
1,1,1-trichloro-2-2-bis(4-chlorophenyl)ethane
1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane
1,1-bis(p-Chlorophenyl)-2,2,2-trichIoroethane
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane
2,2-Bis(p-chlorophenyl)-1,1,1-trichloroethane
4,4'-DDT
4,4'-Dichlorodiphenyltrichloroethane
Aavero-extra
Agritan
Anofex
Arkotine
Azotox
Azotox M-33
Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro-
Benzochloryl
Bosan supra
Bovidermol
Chlorophenothan
Chlorophenothane
Chlorophenotoxum
Chlorphenothan
Chlorphenotoxum
Citox
Clofenotan
Clofenotane
DDT
DDT(p,p')
Dedelo
Deoval
Detox
Detoxan
Dibovan
Dibovin
Dicophane
Dicophaner
Didigam
Didimac
Dodat
Dykol
ENT 1,506
ENT-1506
Estonate
Ethane, 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)-
Ethane, 1,1,1-trichloro-2,2-bis(4-chlorophenyl)-
Genitox
Gesafid
Gesapon
Gesarex
Gesarol
Geusapon
Guesapon
Guesarol
Gyron
Havero-extra
Hildit
Ivoran
Ixodex
Kopsol
Micro DDT 75
Mutoxan
Mutoxin
NCI-C00464
Neocid
Neocidol
Neocidol, Solid
OMS 16
PEB1
Parachlorocidum
Pentachlorin
Pentech
Penticide
Penticidum
R50
RCRA Waste number U061
Rukseam
Santobane
Tafidex
Trichlorobis(4'-Chlorophenyl)ethane
Trichlorobis(4-chlorophenyl)ethane
Zeidane
Zerdane
p,p'-Dichlorodiphenyltrichloroethane
p,p'-Dichlorodiphenyltrichloromethylmethane
p,p-DDT
pPzeidan
«alpha»,«alpha»-Bis(p-chlorophenyl)-«beta»,«beta»,«beta»-trichlorethane

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_subH : Enthalpy of sublimation 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.

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Physical Properties

Property	Value	Unit	Source
Δ_fH°_gas	33.72	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	29.37	kJ/mol	Joback Calculated Property
Δ_vapH°	83.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log₁₀WS	[-7.40; -7.15]
log₁₀WS	-7.40		Aq. Solubility Prediction
log₁₀WS	-7.15		Estimated Solubility
logP_oct/wat	6.495		Crippen Calculated Property
McVol	221.800	ml/mol	McGowan Calculated Property
I_np	[2263.00; 2330.00]
I_np	2270.00		NIST
I_np	2289.00		NIST
I_np	2301.00		NIST
I_np	2284.00		NIST
I_np	2284.00		NIST
I_np	2330.00		NIST
I_np	2290.00		NIST
I_np	2325.20		NIST
I_np	2263.00		NIST
I_np	2270.00		NIST
I_np	2277.00		NIST
I_np	2264.00		NIST
I_np	2270.00		NIST
I_np	2277.00		NIST
I_np	2264.00		NIST
I_np	2300.00		NIST
I_np	2270.00		NIST
I_np	2300.00		NIST
I_np	2290.00		NIST
I_np	2299.00		NIST
I_np	2330.00		NIST
I_np	2325.20		NIST
I_np	2289.00		NIST
I	[3103.00; 3106.00]
I	3106.00		NIST
I	3106.00		NIST
I	3103.00		NIST
I	3103.00		NIST
I	3106.00		NIST
T_boil	634.44	K	Relay (1.0) Calculated Property
T_fus	[381.95; 383.17]	K
T_fus	381.95	K	Aq. Solubility Prediction
T_fus	383.17 ± 0.20	K	NIST
T_fus	383.00 ± 0.20	K	NIST
T_fus	382.25 ± 1.00	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
C_p,gas	[495.29; 548.06]	J/mol×K	[766.52; 1041.34]

C_p,gas	495.29	J/mol×K	766.52	Joback Calculated Property
C_p,gas	506.48	J/mol×K	812.32	Joback Calculated Property
C_p,gas	516.50	J/mol×K	858.13	Joback Calculated Property
C_p,gas	525.51	J/mol×K	903.93	Joback Calculated Property
C_p,gas	533.67	J/mol×K	949.73	Joback Calculated Property
C_p,gas	541.13	J/mol×K	995.53	Joback Calculated Property
C_p,gas	548.06	J/mol×K	1041.34	Joback Calculated Property
η	[0.0000899; 0.0009338]	Pa×s	[462.44; 766.52]

η	0.0009338	Pa×s	462.44	Joback Calculated Property
η	0.0005214	Pa×s	513.12	Joback Calculated Property
η	0.0003233	Pa×s	563.80	Joback Calculated Property
η	0.0002169	Pa×s	614.48	Joback Calculated Property
η	0.0001547	Pa×s	665.16	Joback Calculated Property
η	0.0001157	Pa×s	715.84	Joback Calculated Property
η	0.0000899	Pa×s	766.52	Joback Calculated Property
Δ_fusH	26.28	kJ/mol	382.10	NIST
Δ_subH	[84.00; 120.20]	kJ/mol	[293.00; 356.00]

Δ_subH	120.20 ± 1.00	kJ/mol	293.00	NIST
Δ_subH	117.80	kJ/mol	303.00	NIST
Δ_subH	110.00	kJ/mol	323.00	NIST
Δ_subH	84.00	kJ/mol	338.00	NIST
Δ_subH	115.00	kJ/mol	343.00	NIST
Δ_subH	117.50	kJ/mol	343.00	NIST
Δ_subH	118.00	kJ/mol	356.00	NIST
Δ_vapH	[93.20; 338.00]	kJ/mol	[338.00; 398.00]
Δ_vapH	338.00	kJ/mol	338.00	NIST
Δ_vapH	106.10 ± 1.30	kJ/mol	398.00	NIST
Δ_vapH	93.20	kJ/mol	398.00	NIST

Similar Compounds

1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane.

Benzene, 1,1'-(2-chloroethylidene)bis[4-chloro-.

Benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-methyl-.

1,1-Bis-(4-bromophenyl)-2,2,2-trichloroethane.

BENZENE, 1,1'-(2,2-DICHLOROETHYLIDENE)BIS-.

Ethane, 2-(p-bromophenyl)-1,1,1-trichloro-2-phenyl-.

Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-ethyl-.

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

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

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Chemical Properties of p,p'-DDT

Physical Properties

Temperature Dependent Properties

Similar Compounds

Sources