Chemical Properties of N-(2-Hydroxy-1-phenyl-ethyl)-benzenesulfonamide, N,O-dimethyl-

InChI

InChI=1S/C16H19NO3S/c1-17(21(18,19)15-11-7-4-8-12-15)16(13-20-2)14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3

InChI Key

PIQFTHAKJAFVON-UHFFFAOYSA-N

Formula

C16H19NO3S

SMILES

COCC(c1ccccc1)N(C)S(=O)(=O)c1ccccc1

Molecular Weight¹

305.39

• 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	0.5942		Relay (1.0) Calculated Property
ΔfG°	-156.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.34	kJ/mol	Joback Calculated Property
ΔvapH°	104.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-3.29		Relay (1.0) Calculated Property
logPoct/wat	2.695		Crippen Calculated Property
McVol	232.720	ml/mol	McGowan Calculated Property
Pc	2635.25	kPa	Joback Calculated Property
Inp	[2385.00; 2385.00]
Inp	2385.00		NIST
Inp	2385.00		NIST
Tboil	672.47	K	Relay (1.0) Calculated Property
Tc	914.08	K	Relay (1.0) Calculated Property
Tfus	370.43	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[629.30; 714.03]	J/mol×K	[701.04; 920.05]
Cp,gas	629.30	J/mol×K	701.04	Joback Calculated Property
Cp,gas	646.73	J/mol×K	737.54	Joback Calculated Property
Cp,gas	662.78	J/mol×K	774.04	Joback Calculated Property
Cp,gas	677.49	J/mol×K	810.55	Joback Calculated Property
Cp,gas	690.91	J/mol×K	847.05	Joback Calculated Property
Cp,gas	703.07	J/mol×K	883.55	Joback Calculated Property
Cp,gas	714.03	J/mol×K	920.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Hydroxy-1-phenyl-ethyl)-benzenesulfonamide, N,O-dimethyl-.

Sources

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

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