Chemical Properties of Fumaric acid, 4-chlorobenzyl 2-fluorophenyl ester

InChI

InChI=1S/C17H12ClFO4/c18-13-7-5-12(6-8-13)11-22-16(20)9-10-17(21)23-15-4-2-1-3-14(15)19/h1-10H,11H2/b10-9+

InChI Key

UULFQARRZLKFJE-MDZDMXLPSA-N

Formula

C17H12ClFO4

SMILES

O=C(C=CC(=O)Oc1ccccc1F)OCc1ccc(Cl)cc1

Molecular Weight¹

334.73

• 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°	-296.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-528.32	kJ/mol	Joback Calculated Property
ΔfusH°	40.14	kJ/mol	Joback Calculated Property
ΔvapH°	81.15	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	3.684		Crippen Calculated Property
McVol	227.460	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Inp	[2469.00; 2469.00]
Inp	2469.00		NIST
Inp	2469.00		NIST
Tboil	845.12	K	Joback Calculated Property
Tc	1079.30	K	Joback Calculated Property
Tfus	528.98	K	Joback Calculated Property
Vc	0.867	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[614.60; 666.77]	J/mol×K	[845.12; 1079.30]
Cp,gas	614.60	J/mol×K	845.12	Joback Calculated Property
Cp,gas	625.85	J/mol×K	884.15	Joback Calculated Property
Cp,gas	636.02	J/mol×K	923.18	Joback Calculated Property
Cp,gas	645.15	J/mol×K	962.21	Joback Calculated Property
Cp,gas	653.29	J/mol×K	1001.24	Joback Calculated Property
Cp,gas	660.48	J/mol×K	1040.27	Joback Calculated Property
Cp,gas	666.77	J/mol×K	1079.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-chlorobenzyl 2-fluorophenyl ester.

Sources

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

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