Chemical Properties of N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, N-methyl-

InChI

InChI=1S/C11H15NO4S/c1-8-4-6-10(7-5-8)17(15,16)12(3)11(14)9(2)13/h4-7,9,13H,1-3H3

InChI Key

NHLMRXSPXFBDLY-UHFFFAOYSA-N

Formula

C11H15NO4S

SMILES

Cc1ccc(S(=O)(=O)N(C)C(=O)C(C)O)cc1

Molecular Weight¹

257.31

• 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	0.7445		Relay (1.0) Calculated Property
ΔfG°	-481.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-656.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.46	kJ/mol	Joback Calculated Property
ΔvapH°	92.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-1.64		Relay (1.0) Calculated Property
logPoct/wat	0.523		Crippen Calculated Property
McVol	187.600	ml/mol	McGowan Calculated Property
Pc	3708.97	kPa	Joback Calculated Property
Inp	[1941.00; 1941.00]
Inp	1941.00		NIST
Inp	1941.00		NIST
Tboil	613.17	K	Relay (1.0) Calculated Property
Tc	861.64	K	Relay (1.0) Calculated Property
Tfus	387.50	K	Relay (1.0) Calculated Property
Vc	0.672	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.50; 557.28]	J/mol×K	[688.57; 883.24]
Cp,gas	496.50	J/mol×K	688.57	Joback Calculated Property
Cp,gas	508.65	J/mol×K	721.01	Joback Calculated Property
Cp,gas	519.96	J/mol×K	753.46	Joback Calculated Property
Cp,gas	530.46	J/mol×K	785.90	Joback Calculated Property
Cp,gas	540.17	J/mol×K	818.35	Joback Calculated Property
Cp,gas	549.10	J/mol×K	850.79	Joback Calculated Property
Cp,gas	557.28	J/mol×K	883.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, N-methyl-.

Sources

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

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