Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C13H12Cl3FO4/c14-8-3-1-4-9(17)13(8)21-12(19)6-2-5-11(18)20-7-10(15)16/h1,3-4,10H,2,5-7H2

InChI Key

QNWGBIJXOYWTRX-UHFFFAOYSA-N

Formula

C13H12Cl3FO4

SMILES

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

Molecular Weight¹

357.59

• 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	0.7882		Relay (1.0) Calculated Property
ΔfG°	-549.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-894.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.41	kJ/mol	Joback Calculated Property
ΔvapH°	95.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	3.902		Crippen Calculated Property
McVol	223.640	ml/mol	McGowan Calculated Property
Pc	2027.23	kPa	Joback Calculated Property
Inp	[2248.00; 2248.00]
Inp	2248.00		NIST
Inp	2248.00		NIST
Tboil	598.07	K	Relay (1.0) Calculated Property
Tc	843.65	K	Relay (1.0) Calculated Property
Tfus	335.12	K	Relay (1.0) Calculated Property
Vc	0.795	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.86; 614.80]	J/mol×K	[797.18; 1012.12]
Cp,gas	565.86	J/mol×K	797.18	Joback Calculated Property
Cp,gas	576.20	J/mol×K	833.00	Joback Calculated Property
Cp,gas	585.65	J/mol×K	868.83	Joback Calculated Property
Cp,gas	594.23	J/mol×K	904.65	Joback Calculated Property
Cp,gas	601.95	J/mol×K	940.47	Joback Calculated Property
Cp,gas	608.80	J/mol×K	976.30	Joback Calculated Property
Cp,gas	614.80	J/mol×K	1012.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-chloro-6-fluorophenyl ester.

Sources

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

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