Chemical Properties of Benzenesulfonamide, 4-acetyl- (CAS 1565-17-9)

InChI

InChI=1S/C8H9NO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)

InChI Key

CSATVXJBGFVJES-UHFFFAOYSA-N

Formula

C8H9NO3S

SMILES

CC(=O)c1ccc(S(N)(=O)=O)cc1

Molecular Weight¹

199.23

CAS

1565-17-9

Other Names

• 4-Acetylbenzenesulfonamide
• 4-acetylbenzenesulphonamide

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.6483		Relay (1.0) Calculated Property
ΔfG°	-411.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-405.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.30	kJ/mol	Joback Calculated Property
ΔvapH°	94.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-2.19		Relay (1.0) Calculated Property
logPoct/wat	0.537		Crippen Calculated Property
McVol	139.460	ml/mol	McGowan Calculated Property
Pc	5138.68	kPa	Joback Calculated Property
Inp	[1984.00; 1984.00]
Inp	1984.00		NIST
Inp	1984.00		NIST
Tboil	587.31	K	Relay (1.0) Calculated Property
Tc	843.96	K	Relay (1.0) Calculated Property
Tfus	425.74	K	Relay (1.0) Calculated Property
Vc	0.499	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.66; 377.64]	J/mol×K	[588.28; 812.24]
Cp,gas	319.66	J/mol×K	588.28	Joback Calculated Property
Cp,gas	331.33	J/mol×K	625.61	Joback Calculated Property
Cp,gas	342.18	J/mol×K	662.93	Joback Calculated Property
Cp,gas	352.23	J/mol×K	700.26	Joback Calculated Property
Cp,gas	361.49	J/mol×K	737.59	Joback Calculated Property
Cp,gas	369.96	J/mol×K	774.91	Joback Calculated Property
Cp,gas	377.64	J/mol×K	812.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonamide, 4-acetyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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