Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C18H11Cl3F4O4/c19-9-7-11(20)17(12(21)8-9)29-15(27)6-2-5-14(26)28-13-4-1-3-10(16(13)22)18(23,24)25/h1,3-4,7-8H,2,5-6H2

InChI Key

GVQIEWLTRYRNEQ-UHFFFAOYSA-N

Formula

C18H11Cl3F4O4

SMILES

O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

473.63

• 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°	-1002.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1329.15	kJ/mol	Joback Calculated Property
ΔfusH°	51.58	kJ/mol	Joback Calculated Property
ΔvapH°	90.43	kJ/mol	Joback Calculated Property
log10WS	-7.66		Crippen Calculated Property
logPoct/wat	6.486		Crippen Calculated Property
McVol	275.640	ml/mol	McGowan Calculated Property
Pc	1551.22	kPa	Joback Calculated Property
Inp	[2669.00; 2669.00]
Inp	2669.00		NIST
Inp	2669.00		NIST
Tboil	948.22	K	Joback Calculated Property
Tc	1173.18	K	Joback Calculated Property
Tfus	646.92	K	Joback Calculated Property
Vc	1.083	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[754.24; 789.20]	J/mol×K	[948.22; 1173.18]
Cp,gas	754.24	J/mol×K	948.22	Joback Calculated Property
Cp,gas	762.45	J/mol×K	985.71	Joback Calculated Property
Cp,gas	769.66	J/mol×K	1023.21	Joback Calculated Property
Cp,gas	775.89	J/mol×K	1060.70	Joback Calculated Property
Cp,gas	781.20	J/mol×K	1098.19	Joback Calculated Property
Cp,gas	785.63	J/mol×K	1135.68	Joback Calculated Property
Cp,gas	789.20	J/mol×K	1173.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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