Chemical Properties of 4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-pentafluoropropionyl-

InChI

InChI=1S/C16H10ClF5N2O5S/c1-9-8-11(24(26)27)4-7-13(9)23(14(25)15(18,19)16(20,21)22)30(28,29)12-5-2-10(17)3-6-12/h2-8H,1H3

InChI Key

YWEVIRDQFMLLJA-UHFFFAOYSA-N

Formula

C16H10ClF5N2O5S

SMILES

Cc1cc([N+](=O)[O-])ccc1N(C(=O)C(F)(F)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1

Molecular Weight¹

472.77

• 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	0.8553		Relay (1.0) Calculated Property
ΔfG°	-1151.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1380.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.24	kJ/mol	Joback Calculated Property
ΔvapH°	108.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-6.60		Relay (1.0) Calculated Property
logPoct/wat	4.476		Crippen Calculated Property
McVol	266.930	ml/mol	McGowan Calculated Property
Pc	2197.95	kPa	Joback Calculated Property
Inp	[2415.00; 2415.00]
Inp	2415.00		NIST
Inp	2415.00		NIST
Tboil	661.99	K	Relay (1.0) Calculated Property
Tc	946.63	K	Relay (1.0) Calculated Property
Tfus	371.47	K	Relay (1.0) Calculated Property
Vc	0.916	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[773.10; 809.16]	J/mol×K	[927.03; 1155.66]
Cp,gas	773.10	J/mol×K	927.03	Joback Calculated Property
Cp,gas	781.16	J/mol×K	965.13	Joback Calculated Property
Cp,gas	788.25	J/mol×K	1003.24	Joback Calculated Property
Cp,gas	794.49	J/mol×K	1041.34	Joback Calculated Property
Cp,gas	799.98	J/mol×K	1079.45	Joback Calculated Property
Cp,gas	804.84	J/mol×K	1117.55	Joback Calculated Property
Cp,gas	809.16	J/mol×K	1155.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-pentafluoropropionyl-.

Sources

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

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