Chemical Properties of N-(2-Acetyloxy-1-phenyl-ethyl)-benzenesulfonamide

InChI

InChI=1S/C16H17NO4S/c1-13(18)21-12-16(14-8-4-2-5-9-14)17-22(19,20)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3

InChI Key

BQPCOGFDEPVRIR-UHFFFAOYSA-N

Formula

C16H17NO4S

SMILES

CC(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

319.38

• 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	0.6769		Relay (1.0) Calculated Property
ΔfG°	-306.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-470.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.02	kJ/mol	Joback Calculated Property
ΔvapH°	119.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-2.35		Relay (1.0) Calculated Property
logPoct/wat	2.269		Crippen Calculated Property
McVol	234.290	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Inp	[2469.00; 2469.00]
Inp	2469.00		NIST
Inp	2469.00		NIST
Tboil	669.20	K	Relay (1.0) Calculated Property
Tc	947.94	K	Relay (1.0) Calculated Property
Tfus	370.18	K	Relay (1.0) Calculated Property
Vc	0.819	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.32; 725.57]	J/mol×K	[792.64; 1019.18]
Cp,gas	661.32	J/mol×K	792.64	Joback Calculated Property
Cp,gas	675.36	J/mol×K	830.40	Joback Calculated Property
Cp,gas	688.01	J/mol×K	868.15	Joback Calculated Property
Cp,gas	699.32	J/mol×K	905.91	Joback Calculated Property
Cp,gas	709.33	J/mol×K	943.67	Joback Calculated Property
Cp,gas	718.07	J/mol×K	981.43	Joback Calculated Property
Cp,gas	725.57	J/mol×K	1019.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Acetyloxy-1-phenyl-ethyl)-benzenesulfonamide.

Sources

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

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