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

InChI

InChI=1S/C20H20ClFO4/c21-16-10-4-11-17(22)20(16)26-19(24)13-5-12-18(23)25-14-6-9-15-7-2-1-3-8-15/h1-4,7-8,10-11H,5-6,9,12-14H2

InChI Key

PKVPAXNRGREWKL-UHFFFAOYSA-N

Formula

C20H20ClFO4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCCCc1ccccc1

Molecular Weight¹

378.82

• 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	0.9071		Relay (1.0) Calculated Property
ΔfG°	-351.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-772.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.71	kJ/mol	Joback Calculated Property
ΔvapH°	115.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	4.731		Crippen Calculated Property
McVol	274.030	ml/mol	McGowan Calculated Property
Pc	1605.13	kPa	Joback Calculated Property
Inp	[2768.00; 2768.00]
Inp	2768.00		NIST
Inp	2768.00		NIST
Tboil	659.09	K	Relay (1.0) Calculated Property
Tc	912.02	K	Relay (1.0) Calculated Property
Tfus	328.85	K	Relay (1.0) Calculated Property
Vc	1.004	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[810.60; 866.64]	J/mol×K	[909.60; 1131.97]
Cp,gas	810.60	J/mol×K	909.60	Joback Calculated Property
Cp,gas	822.87	J/mol×K	946.66	Joback Calculated Property
Cp,gas	833.92	J/mol×K	983.72	Joback Calculated Property
Cp,gas	843.79	J/mol×K	1020.78	Joback Calculated Property
Cp,gas	852.50	J/mol×K	1057.84	Joback Calculated Property
Cp,gas	860.11	J/mol×K	1094.90	Joback Calculated Property
Cp,gas	866.64	J/mol×K	1131.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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