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_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[574.01; 646.25]	J/mol×K	[830.31; 1149.03]
Cp,gas	574.01	J/mol×K	830.31	Joback Calculated Property
Cp,gas	588.94	J/mol×K	883.43	Joback Calculated Property
Cp,gas	602.36	J/mol×K	936.55	Joback Calculated Property
Cp,gas	614.54	J/mol×K	989.67	Joback Calculated Property
Cp,gas	625.74	J/mol×K	1042.79	Joback Calculated Property
Cp,gas	636.22	J/mol×K	1095.91	Joback Calculated Property
Cp,gas	646.25	J/mol×K	1149.03	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

• 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.
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