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

InChI

InChI=1S/C12H15NO5S/c1-8-4-6-11(7-5-8)19(16,17)13-12(15)9(2)18-10(3)14/h4-7,9H,1-3H3,(H,13,15)

InChI Key

CELNKQZYEGTTMP-UHFFFAOYSA-N

Formula

C12H15NO5S

SMILES

CC(=O)OC(C)C(=O)NS(=O)(=O)c1ccc(C)cc1

Molecular Weight¹

285.32

• 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).
• 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
ΔfG°	-591.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-828.49	kJ/mol	Joback Calculated Property
ΔfusH°	37.83	kJ/mol	Joback Calculated Property
ΔvapH°	85.83	kJ/mol	Joback Calculated Property
log10WS	-2.24		Crippen Calculated Property
logPoct/wat	0.752		Crippen Calculated Property
McVol	203.260	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[2096.00; 2096.00]
Inp	2096.00		NIST
Inp	2096.00		NIST
Tboil	733.29	K	Joback Calculated Property
Tc	943.79	K	Joback Calculated Property
Tfus	462.25	K	Joback Calculated Property
Vc	0.784	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.34; 609.84]	J/mol×K	[733.29; 943.79]
Cp,gas	548.34	J/mol×K	733.29	Joback Calculated Property
Cp,gas	561.15	J/mol×K	768.37	Joback Calculated Property
Cp,gas	572.93	J/mol×K	803.46	Joback Calculated Property
Cp,gas	583.69	J/mol×K	838.54	Joback Calculated Property
Cp,gas	593.43	J/mol×K	873.62	Joback Calculated Property
Cp,gas	602.15	J/mol×K	908.70	Joback Calculated Property
Cp,gas	609.84	J/mol×K	943.79	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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