Chemical Properties of Fumaric acid, 4-cyanophenyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C17H9ClFNO4/c18-13-2-1-3-14(19)17(13)24-16(22)9-8-15(21)23-12-6-4-11(10-20)5-7-12/h1-9H/b9-8+

InChI Key

JHZNSHPFGRZTTI-CMDGGOBGSA-N

Formula

C17H9ClFNO4

SMILES

N#Cc1ccc(OC(=O)C=CC(=O)Oc2c(F)cccc2Cl)cc1

Molecular Weight¹

345.71

• 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°	-172.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-374.91	kJ/mol	Joback Calculated Property
ΔfusH°	41.26	kJ/mol	Joback Calculated Property
ΔvapH°	92.29	kJ/mol	Joback Calculated Property
log10WS	-4.97		Crippen Calculated Property
logPoct/wat	3.418		Crippen Calculated Property
McVol	228.840	ml/mol	McGowan Calculated Property
Pc	2073.65	kPa	Joback Calculated Property
Inp	[2666.00; 2666.00]
Inp	2666.00		NIST
Inp	2666.00		NIST
Tboil	952.18	K	Joback Calculated Property
Tc	1197.41	K	Joback Calculated Property
Tfus	606.49	K	Joback Calculated Property
Vc	0.892	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[617.41; 649.79]	J/mol×K	[952.18; 1197.41]
Cp,gas	617.41	J/mol×K	952.18	Joback Calculated Property
Cp,gas	625.25	J/mol×K	993.05	Joback Calculated Property
Cp,gas	632.06	J/mol×K	1033.92	Joback Calculated Property
Cp,gas	637.88	J/mol×K	1074.80	Joback Calculated Property
Cp,gas	642.75	J/mol×K	1115.67	Joback Calculated Property
Cp,gas	646.71	J/mol×K	1156.54	Joback Calculated Property
Cp,gas	649.79	J/mol×K	1197.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-cyanophenyl 2-chloro-6-fluorophenyl ester.

Sources

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

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