Chemical Properties of Benzonitrile, 4,4'-sulfonyldi (CAS 6461-99-0)

InChI

InChI=1S/C14H8N2O2S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8H

InChI Key

MZKBKRFSDLTYAN-UHFFFAOYSA-N

Formula

C14H8N2O2S

SMILES

N#Cc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1

Molecular Weight¹

268.29

CAS

6461-99-0

Other Names

• 4,4'-sulphonylbis(benzonitrile)

• 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	[491.51; 529.37]	J/mol×K	[834.98; 1086.64]
Cp,gas	491.51	J/mol×K	834.98	Joback Calculated Property
Cp,gas	500.57	J/mol×K	876.92	Joback Calculated Property
Cp,gas	508.48	J/mol×K	918.87	Joback Calculated Property
Cp,gas	515.28	J/mol×K	960.81	Joback Calculated Property
Cp,gas	521.00	J/mol×K	1002.75	Joback Calculated Property
Cp,gas	525.69	J/mol×K	1044.70	Joback Calculated Property
Cp,gas	529.37	J/mol×K	1086.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzonitrile, 4,4'-sulfonyldi.

Sources

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

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