Chemical Properties of N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,3,3,4,4,4-heptafluorobutanamide)

InChI

InChI=1S/C21H10Cl2F14N2O2/c22-10-6-8(1-3-12(10)38-14(40)16(24,25)18(28,29)20(32,33)34)5-9-2-4-13(11(23)7-9)39-15(41)17(26,27)19(30,31)21(35,36)37/h1-4,6-7H,5H2,(H,38,40)(H,39,41)

InChI Key

FTWLUZZOWSUZJK-UHFFFAOYSA-N

Formula

C21H10Cl2F14N2O2

SMILES

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

Molecular Weight¹

659.20

Other Names

• Butyrylamide, N,N'-[methylenebis(2-chloro-4,1-phenylene)]bis[2,2,3,3,4,4,4-heptafluoro-
• N,N'-[methanediylbis(2-chlorobenzene-4,1-diyl)]bis(2,2,3,3,4,4,4-heptafluorobutyrylamide)
• N-[2-Chloro-4-[[3-chloro-4-[(2,2,3,3,4,4,4-heptafluorobutyryl)amino]phenyl]methyl]phenyl]-2,2,3,3,4,4,4-heptafluoro-butyrylamide

• 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	0.9694		Relay (1.0) Calculated Property
ΔfG°	-2500.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-3189.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.10	kJ/mol	Joback Calculated Property
ΔvapH°	127.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-9.39		Relay (1.0) Calculated Property
logPoct/wat	8.127		Crippen Calculated Property
McVol	331.590	ml/mol	McGowan Calculated Property
Pc	1061.02	kPa	Joback Calculated Property
Inp	[2468.00; 2468.00]
Inp	2468.00		NIST
Inp	2468.00		NIST
Tboil	664.42	K	Relay (1.0) Calculated Property
Tc	919.36	K	Relay (1.0) Calculated Property
Tfus	408.81	K	Relay (1.0) Calculated Property
Vc	1.200	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1031.29; 1090.50]	J/mol×K	[1006.50; 1233.04]
Cp,gas	1031.29	J/mol×K	1006.50	Joback Calculated Property
Cp,gas	1040.49	J/mol×K	1044.26	Joback Calculated Property
Cp,gas	1049.65	J/mol×K	1082.01	Joback Calculated Property
Cp,gas	1059.00	J/mol×K	1119.77	Joback Calculated Property
Cp,gas	1068.77	J/mol×K	1157.52	Joback Calculated Property
Cp,gas	1079.19	J/mol×K	1195.28	Joback Calculated Property
Cp,gas	1090.50	J/mol×K	1233.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,3,3,4,4,4-heptafluorobutanamide).

Sources

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

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