Chemical Properties of Glutaric acid, 3-methylbut-2-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C16H19F3O4/c1-9(2)10(3)22-13(20)5-4-6-14(21)23-12-8-7-11(17)15(18)16(12)19/h7-10H,4-6H2,1-3H3

InChI Key

INZMIFTUKHTXCH-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)Oc1ccc(F)c(F)c1F

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	0.8035		Relay (1.0) Calculated Property
ΔfG°	-889.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1295.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.84	kJ/mol	Joback Calculated Property
ΔvapH°	83.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	3.767		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1606.42	kPa	Joback Calculated Property
Inp	[1860.00; 1860.00]
Inp	1860.00		NIST
Inp	1860.00		NIST
Tboil	570.46	K	Relay (1.0) Calculated Property
Tc	761.19	K	Relay (1.0) Calculated Property
Tfus	297.71	K	Relay (1.0) Calculated Property
Vc	0.855	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.03; 740.63]	J/mol×K	[756.61; 947.19]
Cp,gas	671.03	J/mol×K	756.61	Joback Calculated Property
Cp,gas	684.79	J/mol×K	788.37	Joback Calculated Property
Cp,gas	697.68	J/mol×K	820.14	Joback Calculated Property
Cp,gas	709.70	J/mol×K	851.90	Joback Calculated Property
Cp,gas	720.87	J/mol×K	883.66	Joback Calculated Property
Cp,gas	731.17	J/mol×K	915.42	Joback Calculated Property
Cp,gas	740.63	J/mol×K	947.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2,3,4-trifluorophenyl ester.

Sources

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

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