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

InChI

InChI=1S/C14H12Cl2F4O4/c15-10(16)7-23-11(21)5-2-6-12(22)24-9-4-1-3-8(13(9)17)14(18,19)20/h1,3-4,10H,2,5-7H2

InChI Key

FYTYZJLDGHRHNL-UHFFFAOYSA-N

Formula

C14H12Cl2F4O4

SMILES

O=C(CCCC(=O)Oc1cccc(C(F)(F)F)c1F)OCC(Cl)Cl

Molecular Weight¹

391.14

• 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	0.8165		Relay (1.0) Calculated Property
ΔfG°	-1110.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1544.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.63	kJ/mol	Joback Calculated Property
ΔvapH°	88.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	4.267		Crippen Calculated Property
McVol	230.800	ml/mol	McGowan Calculated Property
Pc	1741.91	kPa	Joback Calculated Property
Inp	[2059.00; 2059.00]
Inp	2059.00		NIST
Inp	2059.00		NIST
Tboil	596.15	K	Relay (1.0) Calculated Property
Tc	797.41	K	Relay (1.0) Calculated Property
Tfus	330.58	K	Relay (1.0) Calculated Property
Vc	0.829	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.52; 674.29]	J/mol×K	[777.21; 975.36]
Cp,gas	622.52	J/mol×K	777.21	Joback Calculated Property
Cp,gas	633.12	J/mol×K	810.24	Joback Calculated Property
Cp,gas	642.90	J/mol×K	843.26	Joback Calculated Property
Cp,gas	651.88	J/mol×K	876.29	Joback Calculated Property
Cp,gas	660.09	J/mol×K	909.31	Joback Calculated Property
Cp,gas	667.55	J/mol×K	942.34	Joback Calculated Property
Cp,gas	674.29	J/mol×K	975.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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