Chemical Properties of 2-Bromobenzothiophene sulfone (CAS 5350-05-0)

InChI

InChI=1S/C8H5BrO2S/c9-8-5-6-3-1-2-4-7(6)12(8,10)11/h1-5H

InChI Key

GSNSVTOQAJSJSG-UHFFFAOYSA-N

Formula

C8H5BrO2S

SMILES

O=S1(=O)C(Br)=Cc2ccccc21

Molecular Weight¹

245.09

CAS

5350-05-0

Other Names

• 2-Bromothianaphthene 1,1-dioxide
• 2-Bromo-benzo(b)thiophene-1,1-dioxide
• Benzo[b]thiophene, 2-bromo-, 1,1-dioxide
• 2-Bromobenzothiophene 1,1-dioxide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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 formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.89; 327.27]	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			-1.44400e+01
Coefficient B			7.79110e-01
Coefficient C			-6.36100e-04
Coefficient D			1.98700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.89	J/mol×K	273.00	Calculated Property
Cp,gas	190.38	J/mol×K	353.78	Calculated Property
Cp,gas	220.31	J/mol×K	434.56	Calculated Property
Cp,gas	245.33	J/mol×K	515.33	Calculated Property
Cp,gas	266.05	J/mol×K	596.11	Calculated Property
Cp,gas	283.11	J/mol×K	676.89	Calculated Property
Cp,gas	297.13	J/mol×K	757.67	Calculated Property
Cp,gas	308.75	J/mol×K	838.44	Calculated Property
Cp,gas	318.58	J/mol×K	919.22	Calculated Property
Cp,gas	327.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromobenzothiophene sulfone.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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