Chemical Properties of N-(2-Chloro-4-(3-chloro-4-[(2,2,3,3,3-pentafluoropropanoyl)amino]benzyl)phenyl)-2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide

InChI

InChI=1S/C22H9Cl2F15N2O3/c23-10-6-8(1-3-12(10)40-14(42)17(25,26)20(31,32)33)5-9-2-4-13(11(24)7-9)41(15(43)18(27,28)21(34,35)36)16(44)19(29,30)22(37,38)39/h1-4,6-7H,5H2,(H,40,42)

InChI Key

SDEBSDSAEACUOY-UHFFFAOYSA-N

Formula

C22H9Cl2F15N2O3

SMILES

O=C(Nc1ccc(Cc2ccc(N(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)c(Cl)c2)cc1Cl)C(F)(F)C(F)(F)F

Molecular Weight¹

705.20

Other Names

• N-[2-Chloro-4-[[3-chloro-4-[(2,2,3,3,3-pentafluoropropionyl)amino]phenyl]methyl]phenyl]-bis(2,2,3,3,3-pentafluoropropionylamide
• Propionylamide, N,N'-[methylenebis(2-chloro-4,1-phenylene)]bis[2,2,3,3,3-pentafluoro-
• N,N'-[Methanediylbis(2-chlorobenzene-4,1-diyl)]tris(2,2,3,3,3-pentafluoropropionylamide)
• N,N'-[Methylenebis(2-chloro-4,1-phenylene)]tris(2,2,3,3,3-pentafluoropropionylamide)
• N-(2-Chloro-4-{3-chloro-4-[(2,2,3,3,3-pentafluoropropanoyl)amino]benzyl}phenyl)-2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide

• 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).
• 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
ΔfG°	-2794.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-3312.60	kJ/mol	Joback Calculated Property
ΔfusH°	62.29	kJ/mol	Joback Calculated Property
ΔvapH°	89.22	kJ/mol	Joback Calculated Property
log10WS	-9.63		Crippen Calculated Property
logPoct/wat	7.975		Crippen Calculated Property
McVol	349.020	ml/mol	McGowan Calculated Property
Pc	999.54	kPa	Joback Calculated Property
Inp	[2261.00; 2261.00]
Inp	2261.00		NIST
Inp	2261.00		NIST
Tboil	1044.79	K	Joback Calculated Property
Tc	1284.68	K	Joback Calculated Property
Tfus	758.75	K	Joback Calculated Property
Vc	1.425	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1089.44; 1156.76]	J/mol×K	[1044.79; 1284.68]
Cp,gas	1089.44	J/mol×K	1044.79	Joback Calculated Property
Cp,gas	1099.13	J/mol×K	1084.77	Joback Calculated Property
Cp,gas	1109.04	J/mol×K	1124.75	Joback Calculated Property
Cp,gas	1119.47	J/mol×K	1164.74	Joback Calculated Property
Cp,gas	1130.70	J/mol×K	1204.72	Joback Calculated Property
Cp,gas	1143.04	J/mol×K	1244.70	Joback Calculated Property
Cp,gas	1156.76	J/mol×K	1284.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Chloro-4-(3-chloro-4-[(2,2,3,3,3-pentafluoropropanoyl)amino]benzyl)phenyl)-2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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