Chemical Properties of Benzenesulfonamide, 4-methylcarbonyl-N-methyl-

InChI

InChI=1S/C9H11NO3S/c1-7(11)8-3-5-9(6-4-8)14(12,13)10-2/h3-6,10H,1-2H3

InChI Key

JAYNQWDHBPWEMB-UHFFFAOYSA-N

Formula

C9H11NO3S

SMILES

CNS(=O)(=O)c1ccc(C(C)=O)cc1

Molecular Weight¹

213.25

• 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	0.6147		Relay (1.0) Calculated Property
ΔfG°	-380.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-386.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.79	kJ/mol	Joback Calculated Property
ΔvapH°	97.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-1.69		Relay (1.0) Calculated Property
logPoct/wat	0.797		Crippen Calculated Property
McVol	153.550	ml/mol	McGowan Calculated Property
Pc	4244.08	kPa	Joback Calculated Property
Inp	[1973.00; 1973.00]
Inp	1973.00		NIST
Inp	1973.00		NIST
Tboil	602.59	K	Relay (1.0) Calculated Property
Tc	841.11	K	Relay (1.0) Calculated Property
Tfus	408.21	K	Relay (1.0) Calculated Property
Vc	0.549	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[357.25; 421.84]	J/mol×K	[588.80; 800.39]
Cp,gas	357.25	J/mol×K	588.80	Joback Calculated Property
Cp,gas	370.03	J/mol×K	624.07	Joback Calculated Property
Cp,gas	382.00	J/mol×K	659.33	Joback Calculated Property
Cp,gas	393.15	J/mol×K	694.60	Joback Calculated Property
Cp,gas	403.50	J/mol×K	729.86	Joback Calculated Property
Cp,gas	413.06	J/mol×K	765.13	Joback Calculated Property
Cp,gas	421.84	J/mol×K	800.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonamide, 4-methylcarbonyl-N-methyl-.

Sources

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

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