Chemical Properties of [1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV, 2,5-diphenyl- (CAS 1033-90-5)

InChI

InChI=1S/C17H12S3/c1-3-7-13(8-4-1)16-11-15-12-17(19-20(15)18-16)14-9-5-2-6-10-14/h1-12H

InChI Key

SRYTYXMHFJHYIZ-UHFFFAOYSA-N

Formula

C17H12S3

SMILES

C1=C(c2ccccc2)SS2=C1C=C(c1ccccc1)S2

Molecular Weight¹

312.47

CAS

1033-90-5

Other Names

• 1,6,6a-SIV-trithiapentalene, 2,5-diphenyl-
• 2,5-Diphenyl-1,6,6a-SIV-trithiapentalene
• 2,5-Diphenyl-6a-thiathiophthene
• 2,5-Diphenyl-1,6,6a-«delta»-4-trithiapentalene
• 1,6,6A(IVS)-Trithiapentalene, 2,5-diphenyl-

• 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).
• 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).
• P_c : Critical Pressure (kPa).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.95; 646.20]	J/mol×K	[830.11; 1148.75]
Cp,gas	573.95	J/mol×K	830.11	Joback Calculated Property
Cp,gas	588.88	J/mol×K	883.22	Joback Calculated Property
Cp,gas	602.31	J/mol×K	936.32	Joback Calculated Property
Cp,gas	614.49	J/mol×K	989.43	Joback Calculated Property
Cp,gas	625.69	J/mol×K	1042.54	Joback Calculated Property
Cp,gas	636.17	J/mol×K	1095.65	Joback Calculated Property
Cp,gas	646.20	J/mol×K	1148.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV, 2,5-diphenyl-.

Sources

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

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