Chemical Properties of Fumaric acid, naphth-1-yl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C20H12ClFO4/c21-15-8-4-9-16(22)20(15)26-19(24)12-11-18(23)25-17-10-3-6-13-5-1-2-7-14(13)17/h1-12H/b12-11+

InChI Key

UKLIXFSFAODRDU-VAWYXSNFSA-N

Formula

C20H12ClFO4

SMILES

O=C(C=CC(=O)Oc1cccc2ccccc12)Oc1c(F)cccc1Cl

Molecular Weight¹

370.76

• 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°	-174.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.64	kJ/mol	Joback Calculated Property
ΔfusH°	44.54	kJ/mol	Joback Calculated Property
ΔvapH°	90.13	kJ/mol	Joback Calculated Property
log10WS	-6.42		Crippen Calculated Property
logPoct/wat	4.699		Crippen Calculated Property
McVol	250.270	ml/mol	McGowan Calculated Property
Pc	2040.07	kPa	Joback Calculated Property
Inp	[2859.00; 2859.00]
Inp	2859.00		NIST
Inp	2859.00		NIST
Tboil	937.72	K	Joback Calculated Property
Tc	1184.08	K	Joback Calculated Property
Tfus	608.01	K	Joback Calculated Property
Vc	0.957	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[698.65; 748.39]	J/mol×K	[937.72; 1184.08]
Cp,gas	698.65	J/mol×K	937.72	Joback Calculated Property
Cp,gas	709.01	J/mol×K	978.78	Joback Calculated Property
Cp,gas	718.43	J/mol×K	1019.84	Joback Calculated Property
Cp,gas	726.98	J/mol×K	1060.90	Joback Calculated Property
Cp,gas	734.76	J/mol×K	1101.96	Joback Calculated Property
Cp,gas	741.87	J/mol×K	1143.02	Joback Calculated Property
Cp,gas	748.39	J/mol×K	1184.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-1-yl 2-chloro-6-fluorophenyl ester.

Sources

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

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