Chemical Properties of Glutaric acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C16H18F4O4/c1-9(2)7-23-12(21)4-3-5-13(22)24-8-10-6-11(17)15(19)16(20)14(10)18/h6,9H,3-5,7-8H2,1-2H3

InChI Key

GKRCBIDXBYKCKH-UHFFFAOYSA-N

Formula

C16H18F4O4

SMILES

CC(C)COC(=O)CCCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

350.31

• 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°	-1091.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1462.24	kJ/mol	Joback Calculated Property
ΔfusH°	44.05	kJ/mol	Joback Calculated Property
ΔvapH°	70.79	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	3.656		Crippen Calculated Property
McVol	234.500	ml/mol	McGowan Calculated Property
Pc	1522.31	kPa	Joback Calculated Property
Inp	[1990.00; 1990.00]
Inp	1990.00		NIST
Inp	1990.00		NIST
Tboil	761.30	K	Joback Calculated Property
Tc	945.98	K	Joback Calculated Property
Tfus	478.26	K	Joback Calculated Property
Vc	0.938	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[677.28; 743.90]	J/mol×K	[761.30; 945.98]
Cp,gas	677.28	J/mol×K	761.30	Joback Calculated Property
Cp,gas	690.37	J/mol×K	792.08	Joback Calculated Property
Cp,gas	702.67	J/mol×K	822.86	Joback Calculated Property
Cp,gas	714.17	J/mol×K	853.64	Joback Calculated Property
Cp,gas	724.88	J/mol×K	884.42	Joback Calculated Property
Cp,gas	734.79	J/mol×K	915.20	Joback Calculated Property
Cp,gas	743.90	J/mol×K	945.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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