Chemical Properties of Diethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester

InChI

InChI=1S/C15H18ClFO4/c1-4-15(5-2,13(18)20-6-3)14(19)21-12-10(16)8-7-9-11(12)17/h7-9H,4-6H2,1-3H3

InChI Key

QFQJDLFNQWXJFC-UHFFFAOYSA-N

Formula

C15H18ClFO4

SMILES

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

Molecular Weight¹

316.75

• 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°	-503.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-849.54	kJ/mol	Joback Calculated Property
ΔfusH°	33.31	kJ/mol	Joback Calculated Property
ΔvapH°	73.17	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	3.754		Crippen Calculated Property
McVol	227.340	ml/mol	McGowan Calculated Property
Pc	1845.16	kPa	Joback Calculated Property
Inp	[1876.00; 1876.00]
Inp	1876.00		NIST
Inp	1876.00		NIST
Tboil	765.29	K	Joback Calculated Property
Tc	974.78	K	Joback Calculated Property
Tfus	487.52	K	Joback Calculated Property
Vc	0.872	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.81; 694.64]	J/mol×K	[765.29; 974.78]
Cp,gas	628.81	J/mol×K	765.29	Joback Calculated Property
Cp,gas	642.10	J/mol×K	800.21	Joback Calculated Property
Cp,gas	654.42	J/mol×K	835.12	Joback Calculated Property
Cp,gas	665.81	J/mol×K	870.04	Joback Calculated Property
Cp,gas	676.30	J/mol×K	904.95	Joback Calculated Property
Cp,gas	685.89	J/mol×K	939.87	Joback Calculated Property
Cp,gas	694.64	J/mol×K	974.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester.

Sources

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

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