Chemical Properties of Benzenesulfonamide (CAS 98-10-2)

InChI

InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

InChI Key

KHBQMWCZKVMBLN-UHFFFAOYSA-N

Formula

C6H7NO2S

SMILES

NS(=O)(=O)c1ccccc1

Molecular Weight¹

157.19

CAS

98-10-2

Other Names

• BSA
• Benzenesulphonamide
• Benzosulfonamide

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔcH°solid	-3400.00	kJ/mol	NIST
ΔfH°gas	-225.85	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-561.90	kJ/mol	NIST
ΔfusH°	23.74	kJ/mol	Enthalpies of combustion and formation of benzenesulfonamide and some of its derivatives
ΔsubH°	115.30 ± 1.70	kJ/mol	NIST
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-1.56		Aq. Solubility Prediction
logPoct/wat	0.334		Crippen Calculated Property
McVol	109.710	ml/mol	McGowan Calculated Property
Inp	[1525.00; 1525.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
Tboil	549.53	K	Relay (1.0) Calculated Property
Tfus	[424.15; 429.65]	K
Tfus	425.35	K	Solubility Determination, Modeling, and Thermodynamic Dissolution Properties of Benzenesulfonamide in 16 Neat Solvents from 273.15 to 324.45 K
Tfus	424.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	424.82	K	Aq. Solubility Prediction
Tfus	429.65 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.89; 315.55]	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			3.26000e+00
Coefficient B			5.90390e-01
Coefficient C			-3.11600e-04
Coefficient D			3.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.89	J/mol×K	273.00	Calculated Property
Cp,gas	174.61	J/mol×K	353.78	Calculated Property
Cp,gas	203.72	J/mol×K	434.56	Calculated Property
Cp,gas	229.34	J/mol×K	515.33	Calculated Property
Cp,gas	251.57	J/mol×K	596.11	Calculated Property
Cp,gas	270.51	J/mol×K	676.89	Calculated Property
Cp,gas	286.27	J/mol×K	757.67	Calculated Property
Cp,gas	298.96	J/mol×K	838.44	Calculated Property
Cp,gas	308.69	J/mol×K	919.22	Calculated Property
Cp,gas	315.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonamide.

Mixtures

• Benzenesulfonamide + Carbon dioxide
• Benzenesulfonamide + Carbon dioxide + Ethanol
• Benzenesulfonamide + Carbon dioxide + 1,2-Ethanediol
• Benzenesulfonamide + Carbon dioxide + Ethyl Acetate
• Benzenesulfonamide + Methyl Alcohol
• Benzenesulfonamide + Ethanol
• 1-Propanol + Benzenesulfonamide
• 2-Propanol + Benzenesulfonamide
• Benzenesulfonamide + 1-Butanol
• Benzenesulfonamide + 1-Propanol, 2-methyl-
• Benzenesulfonamide + 1-Pentanol
• Benzenesulfonamide + 1-Butanol, 3-methyl-
• Benzenesulfonamide + Acetone
• Benzenesulfonamide + Ethyl Acetate
• Acetonitrile + Benzenesulfonamide
• Benzenesulfonamide + Cyclohexanone
• Benzenesulfonamide + Cyclopentanone
• Benzenesulfonamide + Acetic acid, methyl ester
• Ethyl formate + Benzenesulfonamide
• Benzenesulfonamide + Methylene chloride

Find more mixtures with Benzenesulfonamide.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Enthalpies of combustion and formation of benzenesulfonamide and some of its derivatives
• Solubilities of benzene sulfonamide in supercritical CO2 in the absence and presence of cosolvent
• Solubility Determination, Modeling, and Thermodynamic Dissolution Properties of Benzenesulfonamide in 16 Neat Solvents from 273.15 to 324.45 K
• Joback Method
• Aqueous Solubility Prediction 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.