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

InChI

InChI=1S/C17H12Cl3FO4/c18-10-7-13(19)17(14(20)8-10)25-16(23)6-2-5-15(22)24-12-4-1-3-11(21)9-12/h1,3-4,7-9H,2,5-6H2

InChI Key

XUURGMLMNVUKDE-UHFFFAOYSA-N

Formula

C17H12Cl3FO4

SMILES

O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1cccc(F)c1

Molecular Weight¹

405.63

• 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	0.8834		Relay (1.0) Calculated Property
ΔfG°	-419.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-773.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.56	kJ/mol	Joback Calculated Property
ΔvapH°	113.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-6.31		Relay (1.0) Calculated Property
logPoct/wat	5.467		Crippen Calculated Property
McVol	256.240	ml/mol	McGowan Calculated Property
Pc	1870.79	kPa	Joback Calculated Property
Inp	[2750.00; 2750.00]
Inp	2750.00		NIST
Inp	2750.00		NIST
Tboil	640.12	K	Relay (1.0) Calculated Property
Tc	933.45	K	Relay (1.0) Calculated Property
Tfus	341.25	K	Relay (1.0) Calculated Property
Vc	0.922	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.05; 714.94]	J/mol×K	[925.78; 1160.71]
Cp,gas	678.05	J/mol×K	925.78	Joback Calculated Property
Cp,gas	687.03	J/mol×K	964.94	Joback Calculated Property
Cp,gas	694.85	J/mol×K	1004.09	Joback Calculated Property
Cp,gas	701.53	J/mol×K	1043.25	Joback Calculated Property
Cp,gas	707.10	J/mol×K	1082.40	Joback Calculated Property
Cp,gas	711.56	J/mol×K	1121.56	Joback Calculated Property
Cp,gas	714.94	J/mol×K	1160.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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