Chemical Properties of 1,4-Dithiin, 2,5-bis(4-chlorophenyl)- (CAS 2244-77-1)

InChI

InChI=1S/C16H10Cl2S2/c17-13-5-1-11(2-6-13)15-9-20-16(10-19-15)12-3-7-14(18)8-4-12/h1-10H

InChI Key

YEISRKIONCELHP-UHFFFAOYSA-N

Formula

C16H10Cl2S2

SMILES

Clc1ccc(C2=CSC(c3ccc(Cl)cc3)=CS2)cc1

Molecular Weight¹

337.29

CAS

2244-77-1

Other Names

• p-Dithiin, 2,5-bis(p-chlorophenyl)-

• 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_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°	418.08	kJ/mol	Joback Calculated Property
ΔfH°gas	302.87	kJ/mol	Joback Calculated Property
ΔfusH°	32.64	kJ/mol	Joback Calculated Property
ΔvapH°	80.13	kJ/mol	Joback Calculated Property
log10WS	-7.78		Crippen Calculated Property
logPoct/wat	6.770		Crippen Calculated Property
McVol	226.500	ml/mol	McGowan Calculated Property
Pc	2690.21	kPa	Joback Calculated Property
Inp	[360.90; 360.90]
Inp	360.90		NIST
Inp	360.90		NIST
Tboil	831.82	K	Joback Calculated Property
Tc	1135.18	K	Joback Calculated Property
Tfus	612.88	K	Joback Calculated Property
Vc	0.811	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.14; 602.49]	J/mol×K	[831.82; 1135.18]
Cp,gas	543.14	J/mol×K	831.82	Joback Calculated Property
Cp,gas	555.91	J/mol×K	882.38	Joback Calculated Property
Cp,gas	567.31	J/mol×K	932.94	Joback Calculated Property
Cp,gas	577.50	J/mol×K	983.50	Joback Calculated Property
Cp,gas	586.65	J/mol×K	1034.06	Joback Calculated Property
Cp,gas	594.93	J/mol×K	1084.62	Joback Calculated Property
Cp,gas	602.49	J/mol×K	1135.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dithiin, 2,5-bis(4-chlorophenyl)-.

Sources

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

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