Chemical Properties of Diethylmalonic acid, butyl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C18H25FO5/c1-5-8-11-23-16(20)18(6-2,7-3)17(21)24-14-10-9-13(19)12-15(14)22-4/h9-10,12H,5-8,11H2,1-4H3

InChI Key

AZMZSPAXYZMXGU-UHFFFAOYSA-N

Formula

C18H25FO5

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)cc1OC

Molecular Weight¹

340.39

• 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°	-570.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1027.94	kJ/mol	Joback Calculated Property
ΔfusH°	38.07	kJ/mol	Joback Calculated Property
ΔvapH°	77.87	kJ/mol	Joback Calculated Property
log10WS	-4.62		Crippen Calculated Property
logPoct/wat	3.889		Crippen Calculated Property
McVol	263.240	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[2084.00; 2084.00]
Inp	2084.00		NIST
Inp	2084.00		NIST
Tboil	818.92	K	Joback Calculated Property
Tc	1020.55	K	Joback Calculated Property
Tfus	513.64	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[798.03; 871.17]	J/mol×K	[818.92; 1020.55]
Cp,gas	798.03	J/mol×K	818.92	Joback Calculated Property
Cp,gas	812.88	J/mol×K	852.52	Joback Calculated Property
Cp,gas	826.65	J/mol×K	886.13	Joback Calculated Property
Cp,gas	839.35	J/mol×K	919.73	Joback Calculated Property
Cp,gas	850.99	J/mol×K	953.34	Joback Calculated Property
Cp,gas	861.59	J/mol×K	986.94	Joback Calculated Property
Cp,gas	871.17	J/mol×K	1020.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 4-fluoro-2-methoxyphenyl ester.

Sources

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

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