Chemical Properties of Diethylmalonic acid, di(2,3,4-trifluorophenyl) ester

InChI

InChI=1S/C19H14F6O4/c1-3-19(4-2,17(26)28-11-7-5-9(20)13(22)15(11)24)18(27)29-12-8-6-10(21)14(23)16(12)25/h5-8H,3-4H2,1-2H3

InChI Key

DNGLADCQRZZKGL-UHFFFAOYSA-N

Formula

C19H14F6O4

SMILES

CCC(CC)(C(=O)Oc1ccc(F)c(F)c1F)C(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

420.30

• 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°	-1357.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1706.26	kJ/mol	Joback Calculated Property
ΔfusH°	47.35	kJ/mol	Joback Calculated Property
ΔvapH°	78.53	kJ/mol	Joback Calculated Property
log10WS	-6.75		Crippen Calculated Property
logPoct/wat	4.839		Crippen Calculated Property
McVol	256.550	ml/mol	McGowan Calculated Property
Pc	1446.83	kPa	Joback Calculated Property
Inp	[2049.00; 2049.00]
Inp	2049.00		NIST
Inp	2049.00		NIST
Tboil	862.33	K	Joback Calculated Property
Tc	1065.47	K	Joback Calculated Property
Tfus	582.13	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[763.79; 816.55]	J/mol×K	[862.33; 1065.47]
Cp,gas	763.79	J/mol×K	862.33	Joback Calculated Property
Cp,gas	774.96	J/mol×K	896.19	Joback Calculated Property
Cp,gas	785.15	J/mol×K	930.04	Joback Calculated Property
Cp,gas	794.38	J/mol×K	963.90	Joback Calculated Property
Cp,gas	802.67	J/mol×K	997.76	Joback Calculated Property
Cp,gas	810.06	J/mol×K	1031.61	Joback Calculated Property
Cp,gas	816.55	J/mol×K	1065.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2,3,4-trifluorophenyl) ester.

Sources

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

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