Chemical Properties of Fumaric acid, 4-cyanophenyl 3-chlorophenyl ester

InChI

InChI=1S/C17H10ClNO4/c18-13-2-1-3-15(10-13)23-17(21)9-8-16(20)22-14-6-4-12(11-19)5-7-14/h1-10H/b9-8+

InChI Key

UBZWUVWISGRVPC-CMDGGOBGSA-N

Formula

C17H10ClNO4

SMILES

N#Cc1ccc(OC(=O)C=CC(=O)Oc2cccc(Cl)c2)cc1

Molecular Weight¹

327.72

• 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°	31.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.33	kJ/mol	Joback Calculated Property
ΔfusH°	38.57	kJ/mol	Joback Calculated Property
ΔvapH°	92.45	kJ/mol	Joback Calculated Property
log10WS	-4.64		Crippen Calculated Property
logPoct/wat	3.279		Crippen Calculated Property
McVol	227.070	ml/mol	McGowan Calculated Property
Pc	2191.78	kPa	Joback Calculated Property
Inp	[3175.00; 3175.00]
Inp	3175.00		NIST
Inp	3175.00		NIST
Tboil	947.93	K	Joback Calculated Property
Tc	1200.15	K	Joback Calculated Property
Tfus	593.38	K	Joback Calculated Property
Vc	0.875	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[612.30; 647.24]	J/mol×K	[947.93; 1200.15]
Cp,gas	612.30	J/mol×K	947.93	Joback Calculated Property
Cp,gas	620.62	J/mol×K	989.97	Joback Calculated Property
Cp,gas	627.88	J/mol×K	1032.00	Joback Calculated Property
Cp,gas	634.12	J/mol×K	1074.04	Joback Calculated Property
Cp,gas	639.39	J/mol×K	1116.07	Joback Calculated Property
Cp,gas	643.75	J/mol×K	1158.11	Joback Calculated Property
Cp,gas	647.24	J/mol×K	1200.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-cyanophenyl 3-chlorophenyl ester.

Sources

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

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