Chemical Properties of Diethylmalonic acid, di(3-fluorophenyl) ester

InChI

InChI=1S/C19H18F2O4/c1-3-19(4-2,17(22)24-15-9-5-7-13(20)11-15)18(23)25-16-10-6-8-14(21)12-16/h5-12H,3-4H2,1-2H3

InChI Key

NCBSAMVPCZVQBA-UHFFFAOYSA-N

Formula

C19H18F2O4

SMILES

CCC(CC)(C(=O)Oc1cccc(F)c1)C(=O)Oc1cccc(F)c1

Molecular Weight¹

348.34

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7415		Relay (1.0) Calculated Property
ΔfG°	-539.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.59	kJ/mol	Joback Calculated Property
ΔvapH°	104.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	4.282		Crippen Calculated Property
McVol	249.470	ml/mol	McGowan Calculated Property
Pc	1752.14	kPa	Joback Calculated Property
Inp	[2119.00; 2119.00]
Inp	2119.00		NIST
Inp	2119.00		NIST
Tboil	629.24	K	Relay (1.0) Calculated Property
Tc	876.48	K	Relay (1.0) Calculated Property
Tfus	355.62	K	Relay (1.0) Calculated Property
Vc	0.885	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.42; 801.89]	J/mol×K	[845.33; 1066.37]
Cp,gas	739.42	J/mol×K	845.33	Joback Calculated Property
Cp,gas	752.57	J/mol×K	882.17	Joback Calculated Property
Cp,gas	764.56	J/mol×K	919.01	Joback Calculated Property
Cp,gas	775.43	J/mol×K	955.85	Joback Calculated Property
Cp,gas	785.25	J/mol×K	992.69	Joback Calculated Property
Cp,gas	794.05	J/mol×K	1029.53	Joback Calculated Property
Cp,gas	801.89	J/mol×K	1066.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(3-fluorophenyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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