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

InChI

InChI=1S/C14H12F7NO5S/c1-7-3-5-9(6-4-7)28(25,26)22-10(23)8(2)27-11(24)12(15,16)13(17,18)14(19,20)21/h3-6,8H,1-2H3,(H,22,23)

InChI Key

CKSMFGOGSNPQSD-UHFFFAOYSA-N

Formula

C14H12F7NO5S

SMILES

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

Molecular Weight¹

439.30

• 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	0.7898		Relay (1.0) Calculated Property
ΔfG°	-1929.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-2285.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.33	kJ/mol	Joback Calculated Property
ΔvapH°	98.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	2.565		Crippen Calculated Property
McVol	243.830	ml/mol	McGowan Calculated Property
Pc	2030.89	kPa	Joback Calculated Property
Inp	[1849.00; 1849.00]
Inp	1849.00		NIST
Inp	1849.00		NIST
Tboil	592.30	K	Relay (1.0) Calculated Property
Tc	799.81	K	Relay (1.0) Calculated Property
Tfus	394.84	K	Relay (1.0) Calculated Property
Vc	0.867	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[716.62; 768.24]	J/mol×K	[764.25; 951.30]
Cp,gas	716.62	J/mol×K	764.25	Joback Calculated Property
Cp,gas	727.43	J/mol×K	795.43	Joback Calculated Property
Cp,gas	737.29	J/mol×K	826.60	Joback Calculated Property
Cp,gas	746.25	J/mol×K	857.78	Joback Calculated Property
Cp,gas	754.36	J/mol×K	888.95	Joback Calculated Property
Cp,gas	761.68	J/mol×K	920.13	Joback Calculated Property
Cp,gas	768.24	J/mol×K	951.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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