Chemical Properties of 2-(Perfluorobenzamido)ethyl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C16H5F10NO3/c17-5-3(6(18)10(22)13(25)9(5)21)15(28)27-1-2-30-16(29)4-7(19)11(23)14(26)12(24)8(4)20/h1-2H2,(H,27,28)

InChI Key

NZGGVEFBXKJOPQ-UHFFFAOYSA-N

Formula

C16H5F10NO3

SMILES

O=C(NCCOC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

449.20

• 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°	-2009.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-2280.22	kJ/mol	Joback Calculated Property
ΔfusH°	61.67	kJ/mol	Joback Calculated Property
ΔvapH°	76.55	kJ/mol	Joback Calculated Property
log10WS	-7.02		Crippen Calculated Property
logPoct/wat	3.664		Crippen Calculated Property
McVol	225.470	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Inp	[2057.00; 2057.00]
Inp	2057.00		NIST
Inp	2057.00		NIST
Tboil	841.67	K	Joback Calculated Property
Tc	1032.44	K	Joback Calculated Property
Tfus	628.77	K	Joback Calculated Property
Vc	0.961	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.98; 686.41]	J/mol×K	[841.67; 1032.44]
Cp,gas	645.98	J/mol×K	841.67	Joback Calculated Property
Cp,gas	654.59	J/mol×K	873.47	Joback Calculated Property
Cp,gas	662.47	J/mol×K	905.26	Joback Calculated Property
Cp,gas	669.59	J/mol×K	937.06	Joback Calculated Property
Cp,gas	675.96	J/mol×K	968.85	Joback Calculated Property
Cp,gas	681.57	J/mol×K	1000.65	Joback Calculated Property
Cp,gas	686.41	J/mol×K	1032.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(Perfluorobenzamido)ethyl 2,3,4,5,6-pentafluorobenzoate.

Sources

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

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