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

InChI

InChI=1S/C16H19F3O4/c1-10(2)8-22-15(20)4-3-5-16(21)23-9-11-6-13(18)14(19)7-12(11)17/h6-7,10H,3-5,8-9H2,1-2H3

InChI Key

VCZVXCOSUSSKAU-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

CC(C)COC(=O)CCCC(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

332.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8283		Relay (1.0) Calculated Property
ΔfG°	-887.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1297.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.36	kJ/mol	Joback Calculated Property
ΔvapH°	85.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	3.517		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1596.17	kPa	Joback Calculated Property
Inp	[2201.00; 2201.00]
Inp	2201.00		NIST
Inp	2201.00		NIST
Tboil	588.19	K	Relay (1.0) Calculated Property
Tc	763.95	K	Relay (1.0) Calculated Property
Tfus	308.71	K	Relay (1.0) Calculated Property
Vc	0.877	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.48; 739.51]	J/mol×K	[757.05; 945.48]
Cp,gas	670.48	J/mol×K	757.05	Joback Calculated Property
Cp,gas	684.07	J/mol×K	788.46	Joback Calculated Property
Cp,gas	696.82	J/mol×K	819.86	Joback Calculated Property
Cp,gas	708.74	J/mol×K	851.27	Joback Calculated Property
Cp,gas	719.82	J/mol×K	882.67	Joback Calculated Property
Cp,gas	730.08	J/mol×K	914.08	Joback Calculated Property
Cp,gas	739.51	J/mol×K	945.48	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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