Chemical Properties of Chlorbenside (CAS 103-17-3)

InChI

InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2

InChI Key

ZHLKXBJTJHRTTE-UHFFFAOYSA-N

Formula

C13H10Cl2S

SMILES

Clc1ccc(CSc2ccc(Cl)cc2)cc1

Molecular Weight¹

269.19

CAS

103-17-3

Other Names

• Benzene, 1-chloro-4-[[(4-chlorophenyl)methyl]thio]-
• Sulfide, p-chlorobenzyl p-chlorophenyl
• p-Chlorobenzyl p-chlorophenyl sulfide
• p-Chlorobenzyl p-chlorophenyl sulphide
• Chloracid
• Chlorbensid (German)
• Chlorbenzide
• Chlorocid
• Chlorparacide
• Chlorsulphacide
• CP 20
• Mitox
• 4-Chlorobenzyl 4-Chlorophenyl sulfide
• (4-Chloor-benzyl)-(4-chloor-fenyl)-sulfide
• (4-Chlor-benzyl)-(4-chlor-phenyl)-sulfid
• (4-Cloro-benzil)-(4-cloro-fenil)-solfuro
• p,p'-Dichlorodiphenyl sulfide
• Chloorbenzide
• Chlorbensid
• Chlorbenxide
• Chlorocide
• Chloroparacide
• Chlorosulfacide
• ENT 20,696
• HRS 860
• RD 2195
• Sulfure de 4-chlorobenzyle et de 4-chlorophenyle
• 1-Chloro-4-(((4-chlorophenyl)methyl)thio)benzene
• 4-Chlorobenzyl 4-chlorophenyl sulphide
• 4-Chlorophenyl 4'-chlorobenzyl sulfide
• Chlorobenside
• NSC 33078

• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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°	273.40	kJ/mol	Joback Calculated Property
ΔfH°gas	148.86	kJ/mol	Joback Calculated Property
ΔfusH°	29.25	kJ/mol	Joback Calculated Property
ΔvapH°	66.00	kJ/mol	Joback Calculated Property
log10WS	-5.70		Crippen Calculated Property
logPoct/wat	5.286		Crippen Calculated Property
McVol	187.340	ml/mol	McGowan Calculated Property
Pc	2796.51	kPa	Joback Calculated Property
Inp	[2040.00; 2045.00]
Inp	2040.00		NIST
Inp	2045.00		NIST
Inp	2045.00		NIST
Tboil	703.80	K	Joback Calculated Property
Tc	974.79	K	Joback Calculated Property
Tfus	[343.80; 344.50]	K
Tfus	343.80 ± 0.20	K	NIST
Tfus	344.50 ± 0.20	K	NIST
Vc	0.700	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.71; 486.08]	J/mol×K	[703.80; 974.79]
Cp,gas	423.71	J/mol×K	703.80	Joback Calculated Property
Cp,gas	437.01	J/mol×K	748.96	Joback Calculated Property
Cp,gas	449.04	J/mol×K	794.13	Joback Calculated Property
Cp,gas	459.89	J/mol×K	839.29	Joback Calculated Property
Cp,gas	469.63	J/mol×K	884.46	Joback Calculated Property
Cp,gas	478.34	J/mol×K	929.62	Joback Calculated Property
Cp,gas	486.08	J/mol×K	974.79	Joback Calculated Property
ΔfusH	[32.22; 32.22]	kJ/mol	[343.80; 343.80]
ΔfusH	32.22	kJ/mol	343.80	NIST
ΔfusH	32.22	kJ/mol	343.80	NIST
ΔfusS	96.55	J/mol×K	343.80	NIST

Similar Compounds

Find more compounds similar to Chlorbenside.

Sources

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

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