Chemical Properties of Fumaric acid, 3,5-dimethylphenyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C18H14ClFO4/c1-11-8-12(2)10-13(9-11)23-16(21)6-7-17(22)24-18-14(19)4-3-5-15(18)20/h3-10H,1-2H3/b7-6+

InChI Key

QOXDHJNNPDWUNT-VOTSOKGWSA-N

Formula

C18H14ClFO4

SMILES

Cc1cc(C)cc(OC(=O)C=CC(=O)Oc2c(F)cccc2Cl)c1

Molecular Weight¹

348.75

• 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°	-307.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.90	kJ/mol	Joback Calculated Property
ΔfusH°	41.96	kJ/mol	Joback Calculated Property
ΔvapH°	84.70	kJ/mol	Joback Calculated Property
log10WS	-5.57		Crippen Calculated Property
logPoct/wat	4.163		Crippen Calculated Property
McVol	241.550	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[2486.00; 2486.00]
Inp	2486.00		NIST
Inp	2486.00		NIST
Tboil	877.96	K	Joback Calculated Property
Tc	1110.69	K	Joback Calculated Property
Tfus	565.29	K	Joback Calculated Property
Vc	0.922	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.56; 718.66]	J/mol×K	[877.96; 1110.69]
Cp,gas	666.56	J/mol×K	877.96	Joback Calculated Property
Cp,gas	677.90	J/mol×K	916.75	Joback Calculated Property
Cp,gas	688.14	J/mol×K	955.54	Joback Calculated Property
Cp,gas	697.30	J/mol×K	994.32	Joback Calculated Property
Cp,gas	705.42	J/mol×K	1033.11	Joback Calculated Property
Cp,gas	712.53	J/mol×K	1071.90	Joback Calculated Property
Cp,gas	718.66	J/mol×K	1110.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 2-chloro-6-fluorophenyl ester.

Sources

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

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