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

InChI

InChI=1S/C18H16ClFO4/c1-12-6-2-3-9-15(12)23-16(21)10-5-11-17(22)24-18-13(19)7-4-8-14(18)20/h2-4,6-9H,5,10-11H2,1H3

InChI Key

WCYNUOQWFLREJX-UHFFFAOYSA-N

Formula

C18H16ClFO4

SMILES

Cc1ccccc1OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

350.77

• 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	0.8378		Relay (1.0) Calculated Property
ΔfG°	-377.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-756.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.14	kJ/mol	Joback Calculated Property
ΔvapH°	105.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.469		Crippen Calculated Property
McVol	245.850	ml/mol	McGowan Calculated Property
Pc	1859.51	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	630.90	K	Relay (1.0) Calculated Property
Tc	906.86	K	Relay (1.0) Calculated Property
Tfus	342.99	K	Relay (1.0) Calculated Property
Vc	0.899	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.81; 749.88]	J/mol×K	[868.82; 1094.47]
Cp,gas	695.81	J/mol×K	868.82	Joback Calculated Property
Cp,gas	707.68	J/mol×K	906.43	Joback Calculated Property
Cp,gas	718.38	J/mol×K	944.04	Joback Calculated Property
Cp,gas	727.92	J/mol×K	981.65	Joback Calculated Property
Cp,gas	736.34	J/mol×K	1019.26	Joback Calculated Property
Cp,gas	743.66	J/mol×K	1056.87	Joback Calculated Property
Cp,gas	749.88	J/mol×K	1094.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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