Chemical Properties of N-(2-Methoxypropionyl)-4,N-dimethyl-benzenesulfonamide

InChI

InChI=1S/C12H17NO4S/c1-9-5-7-11(8-6-9)18(15,16)13(3)12(14)10(2)17-4/h5-8,10H,1-4H3

InChI Key

GWAXTTJRMWNOGT-UHFFFAOYSA-N

Formula

C12H17NO4S

SMILES

COC(C)C(=O)N(C)S(=O)(=O)c1ccc(C)cc1

Molecular Weight¹

271.33

• 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	0.6393		Relay (1.0) Calculated Property
ΔfG°	-441.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-614.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.15	kJ/mol	Joback Calculated Property
ΔvapH°	82.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-2.17		Relay (1.0) Calculated Property
logPoct/wat	1.177		Crippen Calculated Property
McVol	201.690	ml/mol	McGowan Calculated Property
Pc	2931.34	kPa	Joback Calculated Property
Inp	[1980.00; 1980.00]
Inp	1980.00		NIST
Inp	1980.00		NIST
Tboil	615.05	K	Relay (1.0) Calculated Property
Tc	837.88	K	Relay (1.0) Calculated Property
Tfus	385.09	K	Relay (1.0) Calculated Property
Vc	0.716	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[517.24; 594.79]	J/mol×K	[641.69; 843.15]
Cp,gas	517.24	J/mol×K	641.69	Joback Calculated Property
Cp,gas	532.54	J/mol×K	675.27	Joback Calculated Property
Cp,gas	546.89	J/mol×K	708.84	Joback Calculated Property
Cp,gas	560.27	J/mol×K	742.42	Joback Calculated Property
Cp,gas	572.71	J/mol×K	776.00	Joback Calculated Property
Cp,gas	584.21	J/mol×K	809.57	Joback Calculated Property
Cp,gas	594.79	J/mol×K	843.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Methoxypropionyl)-4,N-dimethyl-benzenesulfonamide.

Sources

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

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