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

InChI

InChI=1S/C17H14F5NO4S/c18-16(19,17(20,21)22)15(24)27-11-14(12-7-3-1-4-8-12)23-28(25,26)13-9-5-2-6-10-13/h1-10,14,23H,11H2

InChI Key

RBHCTTUDMRKDFZ-UHFFFAOYSA-N

Formula

C17H14F5NO4S

SMILES

O=C(OCC(NS(=O)(=O)c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)F

Molecular Weight¹

423.35

• 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	0.7168		Relay (1.0) Calculated Property
ΔfG°	-1266.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1502.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.18	kJ/mol	Joback Calculated Property
ΔvapH°	115.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	3.447		Crippen Calculated Property
McVol	257.230	ml/mol	McGowan Calculated Property
Pc	2157.31	kPa	Joback Calculated Property
Inp	[2217.00; 2217.00]
Inp	2217.00		NIST
Inp	2217.00		NIST
Tboil	656.36	K	Relay (1.0) Calculated Property
Tc	884.44	K	Relay (1.0) Calculated Property
Tfus	364.59	K	Relay (1.0) Calculated Property
Vc	0.898	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[758.09; 813.96]	J/mol×K	[805.41; 1011.33]
Cp,gas	758.09	J/mol×K	805.41	Joback Calculated Property
Cp,gas	770.09	J/mol×K	839.73	Joback Calculated Property
Cp,gas	780.92	J/mol×K	874.05	Joback Calculated Property
Cp,gas	790.65	J/mol×K	908.37	Joback Calculated Property
Cp,gas	799.36	J/mol×K	942.69	Joback Calculated Property
Cp,gas	807.10	J/mol×K	977.01	Joback Calculated Property
Cp,gas	813.96	J/mol×K	1011.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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