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_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).
• 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.
• 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°	-279.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-380.14	kJ/mol	Joback Calculated Property
ΔfusH°	41.53	kJ/mol	Joback Calculated Property
ΔvapH°	85.68	kJ/mol	Joback Calculated Property
log10WS	-5.58		Crippen Calculated Property
logPoct/wat	5.133		Crippen Calculated Property
McVol	209.470	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback 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	2522.00		NIST
Inp	2536.00		NIST
Inp	2462.00		NIST
Tboil	744.74	K	Joback Calculated Property
Tc	997.53	K	Joback Calculated Property
Tfus	[420.09; 420.10]	K
Tfus	420.09 ± 0.20	K	NIST
Tfus	420.10 ± 0.20	K	NIST
Vc	0.814	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[447.94; 491.28]	J/mol×K	[744.74; 997.53]
Cp,gas	447.94	J/mol×K	744.74	Joback Calculated Property
Cp,gas	457.81	J/mol×K	786.87	Joback Calculated Property
Cp,gas	466.58	J/mol×K	829.00	Joback Calculated Property
Cp,gas	474.30	J/mol×K	871.14	Joback Calculated Property
Cp,gas	480.96	J/mol×K	913.27	Joback Calculated Property
Cp,gas	486.62	J/mol×K	955.40	Joback Calculated Property
Cp,gas	491.28	J/mol×K	997.53	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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