Chemical Properties of N-m-Tolyloxyacetyl-benzenesulfonamide (CAS 17811-69-7)

InChI

InChI=1S/C15H15NO4S/c1-12-6-5-7-13(10-12)20-11-15(17)16-21(18,19)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,16,17)

InChI Key

SFZYHNAGMAZZMB-UHFFFAOYSA-N

Formula

C15H15NO4S

SMILES

Cc1cccc(OCC(=O)NS(=O)(=O)c2ccccc2)c1

Molecular Weight¹

305.35

CAS

17811-69-7

• 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	0.7727		Relay (1.0) Calculated Property
ΔfG°	-322.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-467.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.56	kJ/mol	Joback Calculated Property
ΔvapH°	112.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	1.879		Crippen Calculated Property
McVol	220.200	ml/mol	McGowan Calculated Property
Pc	3096.73	kPa	Joback Calculated Property
Inp	[2528.00; 2528.00]
Inp	2528.00		NIST
Inp	2528.00		NIST
Tboil	664.91	K	Relay (1.0) Calculated Property
Tc	977.10	K	Relay (1.0) Calculated Property
Tfus	419.68	K	Relay (1.0) Calculated Property
Vc	0.776	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.89; 667.12]	J/mol×K	[775.18; 1002.12]
Cp,gas	604.89	J/mol×K	775.18	Joback Calculated Property
Cp,gas	618.42	J/mol×K	813.00	Joback Calculated Property
Cp,gas	630.66	J/mol×K	850.83	Joback Calculated Property
Cp,gas	641.62	J/mol×K	888.65	Joback Calculated Property
Cp,gas	651.33	J/mol×K	926.47	Joback Calculated Property
Cp,gas	659.82	J/mol×K	964.29	Joback Calculated Property
Cp,gas	667.12	J/mol×K	1002.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-m-Tolyloxyacetyl-benzenesulfonamide.

Sources

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

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