Chemical Properties of Glutaric acid, 3,4-difluorobenzyl ethyl ester

InChI

InChI=1S/C14H16F2O4/c1-2-19-13(17)4-3-5-14(18)20-9-10-6-7-11(15)12(16)8-10/h6-8H,2-5,9H2,1H3

InChI Key

NSNHKGSHAYBRCT-UHFFFAOYSA-N

Formula

C14H16F2O4

SMILES

CCOC(=O)CCCC(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

286.27

• 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°	-697.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1000.52	kJ/mol	Joback Calculated Property
ΔfusH°	37.01	kJ/mol	Joback Calculated Property
ΔvapH°	67.04	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen Calculated Property
logPoct/wat	2.741		Crippen Calculated Property
McVol	202.780	ml/mol	McGowan Calculated Property
Pc	1959.60	kPa	Joback Calculated Property
Inp	[2038.00; 2038.00]
Inp	2038.00		NIST
Inp	2038.00		NIST
Tboil	707.48	K	Joback Calculated Property
Tc	899.73	K	Joback Calculated Property
Tfus	444.50	K	Joback Calculated Property
Vc	0.795	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[554.85; 622.01]	J/mol×K	[707.48; 899.73]
Cp,gas	554.85	J/mol×K	707.48	Joback Calculated Property
Cp,gas	567.96	J/mol×K	739.52	Joback Calculated Property
Cp,gas	580.30	J/mol×K	771.56	Joback Calculated Property
Cp,gas	591.88	J/mol×K	803.61	Joback Calculated Property
Cp,gas	602.68	J/mol×K	835.65	Joback Calculated Property
Cp,gas	612.73	J/mol×K	867.69	Joback Calculated Property
Cp,gas	622.01	J/mol×K	899.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-difluorobenzyl ethyl ester.

Sources

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

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