Chemical Properties of Diethylmalonic acid, di(2-chloro-6-fluorophenyl) ester

InChI

InChI=1S/C19H16Cl2F2O4/c1-3-19(4-2,17(24)26-15-11(20)7-5-9-13(15)22)18(25)27-16-12(21)8-6-10-14(16)23/h5-10H,3-4H2,1-2H3

InChI Key

NMTHDQXANNUKEL-UHFFFAOYSA-N

Formula

C19H16Cl2F2O4

SMILES

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

Molecular Weight¹

417.23

• 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°	-583.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-930.36	kJ/mol	Joback Calculated Property
ΔfusH°	44.21	kJ/mol	Joback Calculated Property
ΔvapH°	89.24	kJ/mol	Joback Calculated Property
log10WS	-6.80		Crippen Calculated Property
logPoct/wat	5.589		Crippen Calculated Property
McVol	273.950	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[2563.00; 2563.00]
Inp	2563.00		NIST
Inp	2563.00		NIST
Tboil	930.15	K	Joback Calculated Property
Tc	1159.90	K	Joback Calculated Property
Tfus	614.57	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[779.42; 825.83]	J/mol×K	[930.15; 1159.90]
Cp,gas	779.42	J/mol×K	930.15	Joback Calculated Property
Cp,gas	789.81	J/mol×K	968.44	Joback Calculated Property
Cp,gas	799.08	J/mol×K	1006.73	Joback Calculated Property
Cp,gas	807.27	J/mol×K	1045.03	Joback Calculated Property
Cp,gas	814.43	J/mol×K	1083.32	Joback Calculated Property
Cp,gas	820.60	J/mol×K	1121.61	Joback Calculated Property
Cp,gas	825.83	J/mol×K	1159.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2-chloro-6-fluorophenyl) ester.

Sources

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

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