Chemical Properties of Benzene, 1,2,4-trichloro-5-[(4-chlorophenyl)sulfonyl]- (CAS 116-29-0)

InChI

InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H

InChI Key

MLGCXEBRWGEOQX-UHFFFAOYSA-N

Formula

C12H6Cl4O2S

SMILES

O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

356.05

CAS

116-29-0

Other Names

• Sulfone, p-chlorophenyl 2,4,5-trichlorophenyl
• p-Chlorophenyl 2,4,5-trichlorophenyl sulfone
• Akaritox
• Aredion
• Duphar
• Mition
• Polacaritox
• Roztoczol
• Roztoczol extra
• Tedion
• Tedion V-18
• Tetradiphon
• V-18
• 2,4,4',5-Tetrachlorodiphenyl sulfone
• 4-Chlorophenyl 2,4,5-trichlorophenyl sulfone
• p-Chlorophenyl 2,4,5-trichlorophenyl sulphone
• ENT 23,737
• FMC 5488
• NIA 5488
• Roztozol
• Sulfone, 2,4,4',5-tetrachlorodiphenyl
• 2,4,4',5-Tetrachloor-difenyl-sulfon
• 3,4,6,4'-Tetrachlor-diphenylsulfon
• 2,4,4',5-Tetrachlor-diphenyl-sulfon
• 2,4,5,4'-Tetrachlorodiphenyl sulfone
• 2,4,5,4'-Tetrachlorodiphenylsulphone
• 2,4,4',5-Tetracloro-difenil-solfone
• Tetradichlone
• Tetrafidon
• 1,2,4-Trichloro-5-[(4-chlorophenyl)sulfonyl]benzene
• Acaroil TD
• Acarvin
• Agrex T-7.5
• Aracnol K
• Mitifon
• Tetradifon

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.53	kJ/mol	Joback Calculated Property
log10WS	-6.40		Relay (1.0) Calculated Property
logPoct/wat	5.133		Crippen Calculated Property
McVol	209.470	ml/mol	McGowan Calculated Property
Inp	[2462.00; 2536.00]
Inp	2462.00		NIST
Inp	2533.00		NIST
Inp	2522.00		NIST
Inp	2533.00		NIST
Inp	2536.00		NIST
Inp	2536.00		NIST
Inp	2522.00		NIST
Inp	2462.00		NIST
Tfus	[420.09; 420.10]	K
Tfus	420.09 ± 0.20	K	NIST
Tfus	420.10 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[447.99; 491.30]	J/mol×K	[744.94; 997.80]
Cp,gas	447.99	J/mol×K	744.94	Joback Calculated Property
Cp,gas	457.85	J/mol×K	787.08	Joback Calculated Property
Cp,gas	466.63	J/mol×K	829.23	Joback Calculated Property
Cp,gas	474.34	J/mol×K	871.37	Joback Calculated Property
Cp,gas	481.00	J/mol×K	913.51	Joback Calculated Property
Cp,gas	486.65	J/mol×K	955.66	Joback Calculated Property
Cp,gas	491.30	J/mol×K	997.80	Joback Calculated Property
ΔfusH	28.94	kJ/mol	419.90	NIST

Similar Compounds

Find more compounds similar to Benzene, 1,2,4-trichloro-5-[(4-chlorophenyl)sulfonyl]-.

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
• Crippen Method
• Joback 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.
These property values are available through the Cheméo API. A free account gives you an access key.