Chemical Properties of Fumaric acid, 2,6-dichlorophenyl 2-fluorophenyl ester

InChI

InChI=1S/C16H9Cl2FO4/c17-10-4-3-5-11(18)16(10)23-15(21)9-8-14(20)22-13-7-2-1-6-12(13)19/h1-9H/b9-8+

InChI Key

KKYPBSRWJNKHBH-CMDGGOBGSA-N

Formula

C16H9Cl2FO4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cccc1Cl)Oc1ccccc1F

Molecular Weight¹

355.14

• 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°	-326.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-534.89	kJ/mol	Joback Calculated Property
ΔfusH°	41.36	kJ/mol	Joback Calculated Property
ΔvapH°	83.97	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.200		Crippen Calculated Property
McVol	225.610	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[2427.00; 2427.00]
Inp	2427.00		NIST
Inp	2427.00		NIST
Tboil	864.65	K	Joback Calculated Property
Tc	1105.45	K	Joback Calculated Property
Tfus	560.15	K	Joback Calculated Property
Vc	0.860	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[578.33; 621.25]	J/mol×K	[864.65; 1105.45]
Cp,gas	578.33	J/mol×K	864.65	Joback Calculated Property
Cp,gas	587.94	J/mol×K	904.78	Joback Calculated Property
Cp,gas	596.52	J/mol×K	944.92	Joback Calculated Property
Cp,gas	604.10	J/mol×K	985.05	Joback Calculated Property
Cp,gas	610.73	J/mol×K	1025.18	Joback Calculated Property
Cp,gas	616.43	J/mol×K	1065.31	Joback Calculated Property
Cp,gas	621.25	J/mol×K	1105.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dichlorophenyl 2-fluorophenyl ester.

Sources

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

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