Chemical Properties of Glutaric acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C14H14F4O4/c1-2-21-11(19)7-4-8-12(20)22-10-6-3-5-9(13(10)15)14(16,17)18/h3,5-6H,2,4,7-8H2,1H3

InChI Key

MUTLVGJWJHCTFG-UHFFFAOYSA-N

Formula

C14H14F4O4

SMILES

CCOC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

322.25

• 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	0.7604		Relay (1.0) Calculated Property
ΔfG°	-1084.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1536.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.76	kJ/mol	Joback Calculated Property
ΔvapH°	78.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	3.483		Crippen Calculated Property
McVol	206.320	ml/mol	McGowan Calculated Property
Pc	1841.99	kPa	Joback Calculated Property
Inp	[1694.00; 1694.00]
Inp	1694.00		NIST
Inp	1694.00		NIST
Tboil	556.06	K	Relay (1.0) Calculated Property
Tc	740.26	K	Relay (1.0) Calculated Property
Tfus	295.81	K	Relay (1.0) Calculated Property
Vc	0.766	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.36; 636.44]	J/mol×K	[702.79; 889.93]
Cp,gas	573.36	J/mol×K	702.79	Joback Calculated Property
Cp,gas	585.75	J/mol×K	733.98	Joback Calculated Property
Cp,gas	597.37	J/mol×K	765.17	Joback Calculated Property
Cp,gas	608.23	J/mol×K	796.36	Joback Calculated Property
Cp,gas	618.35	J/mol×K	827.55	Joback Calculated Property
Cp,gas	627.75	J/mol×K	858.74	Joback Calculated Property
Cp,gas	636.44	J/mol×K	889.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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