Chemical Properties of Benzene, 1-(methylsulfonyl)-4-nitro-

InChI

InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

InChI Key

XONGBDXIFQIQBN-UHFFFAOYSA-N

Formula

C7H7NO4S

SMILES

CS(=O)(=O)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

201.20

Other Names

• Sulfone, methyl p-nitrophenyl
• Methyl p-nitrophenyl sulfone
• Benzene, 1-(methylsulfonyl)-4-nitro-

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[297.06; 352.79]	J/mol×K	[590.84; 829.13]
Cp,gas	297.06	J/mol×K	590.84	Joback Calculated Property
Cp,gas	308.50	J/mol×K	630.55	Joback Calculated Property
Cp,gas	319.07	J/mol×K	670.27	Joback Calculated Property
Cp,gas	328.78	J/mol×K	709.98	Joback Calculated Property
Cp,gas	337.62	J/mol×K	749.70	Joback Calculated Property
Cp,gas	345.62	J/mol×K	789.41	Joback Calculated Property
Cp,gas	352.79	J/mol×K	829.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(methylsulfonyl)-4-nitro-.

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.