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

InChI

InChI=1S/C16H10ClFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+

InChI Key

YOSSXVUCJURFLN-MDZDMXLPSA-N

Formula

C16H10ClFO4

SMILES

O=C(C=CC(=O)Oc1ccccc1F)Oc1ccc(Cl)cc1

Molecular Weight¹

320.70

• 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°	-304.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-507.68	kJ/mol	Joback Calculated Property
ΔfusH°	37.55	kJ/mol	Joback Calculated Property
ΔvapH°	78.92	kJ/mol	Joback Calculated Property
log10WS	-4.62		Crippen Calculated Property
logPoct/wat	3.546		Crippen Calculated Property
McVol	213.370	ml/mol	McGowan Calculated Property
Pc	2356.49	kPa	Joback Calculated Property
Inp	[2333.00; 2333.00]
Inp	2333.00		NIST
Inp	2333.00		NIST
Tboil	822.24	K	Joback Calculated Property
Tc	1059.97	K	Joback Calculated Property
Tfus	517.71	K	Joback Calculated Property
Vc	0.810	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[560.45; 610.93]	J/mol×K	[822.24; 1059.97]
Cp,gas	560.45	J/mol×K	822.24	Joback Calculated Property
Cp,gas	571.39	J/mol×K	861.86	Joback Calculated Property
Cp,gas	581.25	J/mol×K	901.48	Joback Calculated Property
Cp,gas	590.10	J/mol×K	941.11	Joback Calculated Property
Cp,gas	597.97	J/mol×K	980.73	Joback Calculated Property
Cp,gas	604.89	J/mol×K	1020.35	Joback Calculated Property
Cp,gas	610.93	J/mol×K	1059.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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