Chemical Properties of 4-(methylsulfonyl)benzaldehyde

InChI

InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3

InChI Key

PSVPUHBSBYJSMQ-UHFFFAOYSA-N

Formula

C8H8O3S

SMILES

CS(=O)(=O)c1ccc(C=O)cc1

Molecular Weight¹

184.22

• ω : Acentric Factor.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.41; 370.50]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.06500e+01
Coefficient B			6.33510e-01
Coefficient C			-3.02960e-04
Coefficient D			1.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.41	J/mol×K	273.00	Calculated Property
Cp,gas	207.71	J/mol×K	353.78	Calculated Property
Cp,gas	240.32	J/mol×K	434.56	Calculated Property
Cp,gas	269.30	J/mol×K	515.33	Calculated Property
Cp,gas	294.72	J/mol×K	596.11	Calculated Property
Cp,gas	316.64	J/mol×K	676.89	Calculated Property
Cp,gas	335.12	J/mol×K	757.67	Calculated Property
Cp,gas	350.21	J/mol×K	838.44	Calculated Property
Cp,gas	361.99	J/mol×K	919.22	Calculated Property
Cp,gas	370.50	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-(methylsulfonyl)benzaldehyde.

Mixtures

• Acetonitrile + 4-(methylsulfonyl)benzaldehyde
• Methyl Alcohol + 4-(methylsulfonyl)benzaldehyde
• Ethanol + 4-(methylsulfonyl)benzaldehyde
• 1-Propanol + 4-(methylsulfonyl)benzaldehyde
• 2-Propanol + 4-(methylsulfonyl)benzaldehyde
• Acetone + 4-(methylsulfonyl)benzaldehyde
• Toluene + 4-(methylsulfonyl)benzaldehyde
• Acetic acid + 4-(methylsulfonyl)benzaldehyde
• 1-Butanol + 4-(methylsulfonyl)benzaldehyde

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility Modeling of 4-(Methylsulfonyl)benzaldehyde in Nine Organic Solvents at Elevated Temperatures
• Joback Method
• McGowan Method

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