Chemical Properties of Glutaric acid, di(2-chloro-6-fluorophenyl) ester

InChI

InChI=1S/C17H12Cl2F2O4/c18-10-4-1-6-12(20)16(10)24-14(22)8-3-9-15(23)25-17-11(19)5-2-7-13(17)21/h1-2,4-7H,3,8-9H2

InChI Key

INVHZKBJVAZCKA-UHFFFAOYSA-N

Formula

C17H12Cl2F2O4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)Oc1c(F)cccc1Cl

Molecular Weight¹

389.18

• 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	0.8604		Relay (1.0) Calculated Property
ΔfG°	-602.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-875.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.44	kJ/mol	Joback Calculated Property
ΔvapH°	108.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-5.77		Relay (1.0) Calculated Property
logPoct/wat	4.953		Crippen Calculated Property
McVol	245.770	ml/mol	McGowan Calculated Property
Pc	1857.91	kPa	Joback Calculated Property
Inp	[2560.00; 2560.00]
Inp	2560.00		NIST
Inp	2560.00		NIST
Tboil	617.91	K	Relay (1.0) Calculated Property
Tc	909.21	K	Relay (1.0) Calculated Property
Tfus	370.72	K	Relay (1.0) Calculated Property
Vc	0.895	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.59; 709.67]	J/mol×K	[887.62; 1112.64]
Cp,gas	666.59	J/mol×K	887.62	Joback Calculated Property
Cp,gas	676.45	J/mol×K	925.12	Joback Calculated Property
Cp,gas	685.22	J/mol×K	962.63	Joback Calculated Property
Cp,gas	692.91	J/mol×K	1000.13	Joback Calculated Property
Cp,gas	699.54	J/mol×K	1037.63	Joback Calculated Property
Cp,gas	705.12	J/mol×K	1075.13	Joback Calculated Property
Cp,gas	709.67	J/mol×K	1112.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-chloro-6-fluorophenyl) ester.

Sources

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

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