Chemical Properties of Benzene, 1,1'-thiobis[2,4,6-trinitro- (CAS 2217-06-3)

InChI

InChI=1S/C12H4N6O12S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H

InChI Key

XHJPTLWIOZRBQB-UHFFFAOYSA-N

Formula

C12H4N6O12S

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

Molecular Weight¹

456.26

CAS

2217-06-3

Other Names

• Bis(2,4,6-trinitrophenyl)sulfide
• Picryl sulfide
• 2,4,6-Trinitrophenyl sulfide
• 2,4,6,2',4',6'-Hexanitrodiphenyl sulfide
• Dipicryl sulfide
• Dipicryl sulphide
• UN 0401
• NSC 243670
• bis(2,4,6-trinitrophenyl) sulphide

• 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).
• 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	[637.62; 689.25]	J/mol×K	[1537.02; 1890.41]
Cp,gas	689.25	J/mol×K	1537.02	Joback Calculated Property
Cp,gas	682.29	J/mol×K	1595.92	Joback Calculated Property
Cp,gas	674.46	J/mol×K	1654.82	Joback Calculated Property
Cp,gas	665.93	J/mol×K	1713.72	Joback Calculated Property
Cp,gas	656.84	J/mol×K	1772.61	Joback Calculated Property
Cp,gas	647.36	J/mol×K	1831.51	Joback Calculated Property
Cp,gas	637.62	J/mol×K	1890.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-thiobis[2,4,6-trinitro-.

Sources

• 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.