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

InChI

InChI=1S/C16H20F2O4/c1-11(2)9-21-15(19)4-3-5-16(20)22-10-12-6-7-13(17)14(18)8-12/h6-8,11H,3-5,9-10H2,1-2H3

InChI Key

NQWZPRDIWNTFTP-UHFFFAOYSA-N

Formula

C16H20F2O4

SMILES

CC(C)COC(=O)CCCC(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

314.32

• 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°	-682.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1047.08	kJ/mol	Joback Calculated Property
ΔfusH°	38.67	kJ/mol	Joback Calculated Property
ΔvapH°	71.10	kJ/mol	Joback Calculated Property
log10WS	-4.26		Crippen Calculated Property
logPoct/wat	3.377		Crippen Calculated Property
McVol	230.960	ml/mol	McGowan Calculated Property
Pc	1675.53	kPa	Joback Calculated Property
Inp	[2207.00; 2207.00]
Inp	2207.00		NIST
Inp	2207.00		NIST
Tboil	752.80	K	Joback Calculated Property
Tc	945.68	K	Joback Calculated Property
Tfus	452.04	K	Joback Calculated Property
Vc	0.901	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.63; 735.32]	J/mol×K	[752.80; 945.68]
Cp,gas	663.63	J/mol×K	752.80	Joback Calculated Property
Cp,gas	677.78	J/mol×K	784.95	Joback Calculated Property
Cp,gas	691.04	J/mol×K	817.09	Joback Calculated Property
Cp,gas	703.41	J/mol×K	849.24	Joback Calculated Property
Cp,gas	714.91	J/mol×K	881.39	Joback Calculated Property
Cp,gas	725.55	J/mol×K	913.53	Joback Calculated Property
Cp,gas	735.32	J/mol×K	945.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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