Chemical Properties of N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-trifluoroacetyl-

InChI

InChI=1S/C12H12F3NO5S/c1-7-3-5-9(6-4-7)22(19,20)16-10(17)8(2)21-11(18)12(13,14)15/h3-6,8H,1-2H3,(H,16,17)

InChI Key

ZESVQAAZGWYBNE-UHFFFAOYSA-N

Formula

C12H12F3NO5S

SMILES

Cc1ccc(S(=O)(=O)NC(=O)C(C)OC(=O)C(F)(F)F)cc1

Molecular Weight¹

339.29

• 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	0.7066		Relay (1.0) Calculated Property
ΔfG°	-1173.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1420.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.65	kJ/mol	Joback Calculated Property
ΔvapH°	93.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-2.62		Relay (1.0) Calculated Property
logPoct/wat	1.294		Crippen Calculated Property
McVol	208.570	ml/mol	McGowan Calculated Property
Pc	2814.34	kPa	Joback Calculated Property
Inp	[1827.00; 1827.00]
Inp	1827.00		NIST
Inp	1827.00		NIST
Tboil	587.19	K	Relay (1.0) Calculated Property
Tc	808.01	K	Relay (1.0) Calculated Property
Tfus	426.29	K	Relay (1.0) Calculated Property
Vc	0.732	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[574.51; 629.91]	J/mol×K	[727.87; 925.30]
Cp,gas	574.51	J/mol×K	727.87	Joback Calculated Property
Cp,gas	586.03	J/mol×K	760.77	Joback Calculated Property
Cp,gas	596.61	J/mol×K	793.68	Joback Calculated Property
Cp,gas	606.27	J/mol×K	826.58	Joback Calculated Property
Cp,gas	615.02	J/mol×K	859.49	Joback Calculated Property
Cp,gas	622.90	J/mol×K	892.39	Joback Calculated Property
Cp,gas	629.91	J/mol×K	925.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-trifluoroacetyl-.

Sources

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

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