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

InChI

InChI=1S/C13H12F5NO5S/c1-7-3-5-9(6-4-7)25(22,23)19-10(20)8(2)24-11(21)12(14,15)13(16,17)18/h3-6,8H,1-2H3,(H,19,20)

InChI Key

UOMFZVOEKCLLGM-UHFFFAOYSA-N

Formula

C13H12F5NO5S

SMILES

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

Molecular Weight¹

389.30

• 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	0.7506		Relay (1.0) Calculated Property
ΔfG°	-1551.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-1867.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.99	kJ/mol	Joback Calculated Property
ΔvapH°	95.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	1.929		Crippen Calculated Property
McVol	226.200	ml/mol	McGowan Calculated Property
Pc	2374.90	kPa	Joback Calculated Property
Inp	[1824.00; 1824.00]
Inp	1824.00		NIST
Inp	1824.00		NIST
Tboil	584.52	K	Relay (1.0) Calculated Property
Tc	795.21	K	Relay (1.0) Calculated Property
Tfus	405.36	K	Relay (1.0) Calculated Property
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.42; 698.85]	J/mol×K	[746.06; 937.45]
Cp,gas	645.42	J/mol×K	746.06	Joback Calculated Property
Cp,gas	656.58	J/mol×K	777.96	Joback Calculated Property
Cp,gas	666.79	J/mol×K	809.86	Joback Calculated Property
Cp,gas	676.09	J/mol×K	841.76	Joback Calculated Property
Cp,gas	684.50	J/mol×K	873.65	Joback Calculated Property
Cp,gas	692.08	J/mol×K	905.55	Joback Calculated Property
Cp,gas	698.85	J/mol×K	937.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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