Chemical Properties of Diethylmalonic acid, 3,4-difluorobenzyl propyl ester

InChI

InChI=1S/C17H22F2O4/c1-4-9-22-15(20)17(5-2,6-3)16(21)23-11-12-7-8-13(18)14(19)10-12/h7-8,10H,4-6,9,11H2,1-3H3

InChI Key

GRWXCDAWROEIEP-UHFFFAOYSA-N

Formula

C17H22F2O4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

328.35

• 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°	-669.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1071.19	kJ/mol	Joback Calculated Property
ΔfusH°	37.37	kJ/mol	Joback Calculated Property
ΔvapH°	72.42	kJ/mol	Joback Calculated Property
log10WS	-4.68		Crippen Calculated Property
logPoct/wat	3.768		Crippen Calculated Property
McVol	245.050	ml/mol	McGowan Calculated Property
Pc	1564.75	kPa	Joback Calculated Property
Inp	[1876.00; 1876.00]
Inp	1876.00		NIST
Inp	1876.00		NIST
Tboil	772.89	K	Joback Calculated Property
Tc	969.40	K	Joback Calculated Property
Tfus	480.73	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[720.69; 793.86]	J/mol×K	[772.89; 969.40]
Cp,gas	720.69	J/mol×K	772.89	Joback Calculated Property
Cp,gas	735.20	J/mol×K	805.64	Joback Calculated Property
Cp,gas	748.75	J/mol×K	838.39	Joback Calculated Property
Cp,gas	761.37	J/mol×K	871.14	Joback Calculated Property
Cp,gas	773.07	J/mol×K	903.89	Joback Calculated Property
Cp,gas	783.89	J/mol×K	936.65	Joback Calculated Property
Cp,gas	793.86	J/mol×K	969.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3,4-difluorobenzyl propyl ester.

Sources

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

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