Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C18H12ClF5O4/c19-11-5-2-6-12(20)17(11)28-15(26)9-3-8-14(25)27-13-7-1-4-10(16(13)21)18(22,23)24/h1-2,4-7H,3,8-9H2

InChI Key

QRCWAUHDXOSWMY-UHFFFAOYSA-N

Formula

C18H12ClF5O4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

422.73

• 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	0.8769		Relay (1.0) Calculated Property
ΔfG°	-1164.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1517.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.66	kJ/mol	Joback Calculated Property
ΔvapH°	101.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	5.318		Crippen Calculated Property
McVol	252.930	ml/mol	McGowan Calculated Property
Pc	1606.42	kPa	Joback Calculated Property
Inp	[2349.00; 2349.00]
Inp	2349.00		NIST
Inp	2349.00		NIST
Tboil	622.66	K	Relay (1.0) Calculated Property
Tc	868.13	K	Relay (1.0) Calculated Property
Tfus	343.73	K	Relay (1.0) Calculated Property
Vc	0.926	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.15; 772.74]	J/mol×K	[867.65; 1077.78]
Cp,gas	725.15	J/mol×K	867.65	Joback Calculated Property
Cp,gas	735.40	J/mol×K	902.67	Joback Calculated Property
Cp,gas	744.68	J/mol×K	937.69	Joback Calculated Property
Cp,gas	753.02	J/mol×K	972.72	Joback Calculated Property
Cp,gas	760.45	J/mol×K	1007.74	Joback Calculated Property
Cp,gas	767.01	J/mol×K	1042.76	Joback Calculated Property
Cp,gas	772.74	J/mol×K	1077.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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