Chemical Properties of Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3-fluorophenyl ester

InChI

InChI=1S/C25H22FNO3/c26-22-12-7-13-23(18-22)30-25(29)15-14-24(28)27(19-21-10-5-2-6-11-21)17-16-20-8-3-1-4-9-20/h1-15,18H,16-17,19H2/b15-14+

InChI Key

NELJQPRPADOPOH-CCEZHUSRSA-N

Formula

C25H22FNO3

SMILES

O=C(C=CC(=O)N(CCc1ccccc1)Cc1ccccc1)Oc1cccc(F)c1

Molecular Weight¹

403.45

• 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°	120.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-229.95	kJ/mol	Joback Calculated Property
ΔfusH°	52.93	kJ/mol	Joback Calculated Property
ΔvapH°	95.82	kJ/mol	Joback Calculated Property
log10WS	-6.13		Crippen Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	308.290	ml/mol	McGowan Calculated Property
Pc	1567.23	kPa	Joback Calculated Property
Inp	[3342.00; 3342.00]
Inp	3342.00		NIST
Inp	3342.00		NIST
Tboil	1002.45	K	Joback Calculated Property
Tc	1244.79	K	Joback Calculated Property
Tfus	613.36	K	Joback Calculated Property
Vc	1.157	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.35; 1026.17]	J/mol×K	[1002.45; 1244.79]
Cp,gas	962.35	J/mol×K	1002.45	Joback Calculated Property
Cp,gas	975.09	J/mol×K	1042.84	Joback Calculated Property
Cp,gas	986.80	J/mol×K	1083.23	Joback Calculated Property
Cp,gas	997.62	J/mol×K	1123.62	Joback Calculated Property
Cp,gas	1007.70	J/mol×K	1164.01	Joback Calculated Property
Cp,gas	1017.17	J/mol×K	1204.40	Joback Calculated Property
Cp,gas	1026.17	J/mol×K	1244.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3-fluorophenyl ester.

Sources

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

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