Chemical Properties of N-(2-Hydroxy-1-phenyl-ethyl)-benzenesulfonamide (CAS 919706-17-5)

InChI

InChI=1S/C14H15NO3S/c16-11-14(12-7-3-1-4-8-12)15-19(17,18)13-9-5-2-6-10-13/h1-10,14-16H,11H2

InChI Key

YQUFKSRAKRZOFV-UHFFFAOYSA-N

Formula

C14H15NO3S

SMILES

O=S(=O)(NC(CO)c1ccccc1)c1ccccc1

Molecular Weight¹

277.34

CAS

919706-17-5

• 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	0.7621		Relay (1.0) Calculated Property
ΔfG°	-226.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-302.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.14	kJ/mol	Joback Calculated Property
ΔvapH°	122.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-1.94		Relay (1.0) Calculated Property
logPoct/wat	1.699		Crippen Calculated Property
McVol	204.540	ml/mol	McGowan Calculated Property
Pc	3754.57	kPa	Joback Calculated Property
Inp	[2226.00; 2226.00]
Inp	2226.00		NIST
Inp	2226.00		NIST
Tboil	670.95	K	Relay (1.0) Calculated Property
Tc	983.25	K	Relay (1.0) Calculated Property
Tfus	402.42	K	Relay (1.0) Calculated Property
Vc	0.702	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[566.30; 625.78]	J/mol×K	[762.77; 978.22]
Cp,gas	566.30	J/mol×K	762.77	Joback Calculated Property
Cp,gas	578.81	J/mol×K	798.68	Joback Calculated Property
Cp,gas	590.22	J/mol×K	834.59	Joback Calculated Property
Cp,gas	600.58	J/mol×K	870.50	Joback Calculated Property
Cp,gas	609.93	J/mol×K	906.41	Joback Calculated Property
Cp,gas	618.31	J/mol×K	942.31	Joback Calculated Property
Cp,gas	625.78	J/mol×K	978.22	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.