Chemical Properties of Fumaric acid, monoamide, N-benzyl-N-phenethyl-, pentafluorobenzyl ester

InChI

InChI=1S/C26H20F5NO3/c27-22-19(23(28)25(30)26(31)24(22)29)16-35-21(34)12-11-20(33)32(15-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12H,13-16H2/b12-11+

InChI Key

ZACTUGKRNDVQCT-VAWYXSNFSA-N

Formula

C26H20F5NO3

SMILES

O=C(C=CC(=O)N(CCc1ccccc1)Cc1ccccc1)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

489.43

• 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°	-688.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1080.91	kJ/mol	Joback Calculated Property
ΔfusH°	66.28	kJ/mol	Joback Calculated Property
ΔvapH°	97.43	kJ/mol	Joback Calculated Property
log10WS	-7.73		Crippen Calculated Property
logPoct/wat	5.253		Crippen Calculated Property
McVol	329.460	ml/mol	McGowan Calculated Property
Pc	1220.85	kPa	Joback Calculated Property
Inp	[3268.00; 3268.00]
Inp	3268.00		NIST
Inp	3268.00		NIST
Tboil	1042.33	K	Joback Calculated Property
Tc	1276.70	K	Joback Calculated Property
Tfus	677.07	K	Joback Calculated Property
Vc	1.286	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1042.75; 1096.99]	J/mol×K	[1042.33; 1276.70]
Cp,gas	1042.75	J/mol×K	1042.33	Joback Calculated Property
Cp,gas	1054.02	J/mol×K	1081.39	Joback Calculated Property
Cp,gas	1064.26	J/mol×K	1120.45	Joback Calculated Property
Cp,gas	1073.58	J/mol×K	1159.51	Joback Calculated Property
Cp,gas	1082.07	J/mol×K	1198.58	Joback Calculated Property
Cp,gas	1089.84	J/mol×K	1237.64	Joback Calculated Property
Cp,gas	1096.99	J/mol×K	1276.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-benzyl-N-phenethyl-, pentafluorobenzyl ester.

Sources

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

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