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

InChI

InChI=1S/C17H10Cl3F3O4/c18-8-6-9(19)17(10(20)7-8)27-14(25)3-1-2-13(24)26-12-5-4-11(21)15(22)16(12)23/h4-7H,1-3H2

InChI Key

BCTAKADCXXFIGJ-UHFFFAOYSA-N

Formula

C17H10Cl3F3O4

SMILES

O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1ccc(F)c(F)c1F

Molecular Weight¹

441.61

• 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°	-828.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1115.12	kJ/mol	Joback Calculated Property
ΔfusH°	52.94	kJ/mol	Joback Calculated Property
ΔvapH°	90.98	kJ/mol	Joback Calculated Property
log10WS	-7.22		Crippen Calculated Property
logPoct/wat	5.745		Crippen Calculated Property
McVol	259.780	ml/mol	McGowan Calculated Property
Pc	1690.72	kPa	Joback Calculated Property
Inp	[2679.00; 2679.00]
Inp	2679.00		NIST
Inp	2679.00		NIST
Tboil	934.28	K	Joback Calculated Property
Tc	1159.23	K	Joback Calculated Property
Tfus	645.16	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[688.68; 720.99]	J/mol×K	[934.28; 1159.23]
Cp,gas	688.68	J/mol×K	934.28	Joback Calculated Property
Cp,gas	696.77	J/mol×K	971.77	Joback Calculated Property
Cp,gas	703.77	J/mol×K	1009.26	Joback Calculated Property
Cp,gas	709.70	J/mol×K	1046.76	Joback Calculated Property
Cp,gas	714.54	J/mol×K	1084.25	Joback Calculated Property
Cp,gas	718.30	J/mol×K	1121.74	Joback Calculated Property
Cp,gas	720.99	J/mol×K	1159.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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