Chemical Properties of N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, N,O-dimethyl-

InChI

InChI=1S/C17H21NO3S/c1-14-9-11-16(12-10-14)22(19,20)18(2)13-17(21-3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3

InChI Key

WCEMHQUXXSJOCV-UHFFFAOYSA-N

Formula

C17H21NO3S

SMILES

COC(CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1

Molecular Weight¹

319.42

• 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	0.6489		Relay (1.0) Calculated Property
ΔfG°	-157.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-286.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.54	kJ/mol	Joback Calculated Property
ΔvapH°	110.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	3.003		Crippen Calculated Property
McVol	246.810	ml/mol	McGowan Calculated Property
Pc	2358.78	kPa	Joback Calculated Property
Inp	[2464.00; 2464.00]
Inp	2464.00		NIST
Inp	2464.00		NIST
Tboil	682.48	K	Relay (1.0) Calculated Property
Tc	920.53	K	Relay (1.0) Calculated Property
Tfus	377.59	K	Relay (1.0) Calculated Property
Vc	0.877	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.69; 768.23]	J/mol×K	[728.90; 945.38]
Cp,gas	683.69	J/mol×K	728.90	Joback Calculated Property
Cp,gas	701.06	J/mol×K	764.98	Joback Calculated Property
Cp,gas	717.07	J/mol×K	801.06	Joback Calculated Property
Cp,gas	731.75	J/mol×K	837.14	Joback Calculated Property
Cp,gas	745.15	J/mol×K	873.22	Joback Calculated Property
Cp,gas	757.29	J/mol×K	909.30	Joback Calculated Property
Cp,gas	768.23	J/mol×K	945.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, N,O-dimethyl-.

Sources

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

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