Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 4-methoxybenzyl ester

InChI

InChI=1S/C19H18ClFO5/c1-24-14-10-8-13(9-11-14)12-25-17(22)6-3-7-18(23)26-19-15(20)4-2-5-16(19)21/h2,4-5,8-11H,3,6-7,12H2,1H3

InChI Key

KDVGOAOJTWOAIZ-UHFFFAOYSA-N

Formula

C19H18ClFO5

SMILES

COc1ccc(COC(=O)CCCC(=O)Oc2c(F)cccc2Cl)cc1

Molecular Weight¹

380.80

• 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).
• 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
ΔfG°	-474.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-830.51	kJ/mol	Joback Calculated Property
ΔfusH°	45.92	kJ/mol	Joback Calculated Property
ΔvapH°	88.72	kJ/mol	Joback Calculated Property
log10WS	-5.57		Crippen Calculated Property
logPoct/wat	4.307		Crippen Calculated Property
McVol	265.810	ml/mol	McGowan Calculated Property
Pc	1690.72	kPa	Joback Calculated Property
Inp	[2827.00; 2827.00]
Inp	2827.00		NIST
Inp	2827.00		NIST
Tboil	914.12	K	Joback Calculated Property
Tc	1137.85	K	Joback Calculated Property
Tfus	591.35	K	Joback Calculated Property
Vc	1.016	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.15; 826.60]	J/mol×K	[914.12; 1137.85]
Cp,gas	778.15	J/mol×K	914.12	Joback Calculated Property
Cp,gas	789.47	J/mol×K	951.41	Joback Calculated Property
Cp,gas	799.49	J/mol×K	988.70	Joback Calculated Property
Cp,gas	808.20	J/mol×K	1025.99	Joback Calculated Property
Cp,gas	815.62	J/mol×K	1063.27	Joback Calculated Property
Cp,gas	821.75	J/mol×K	1100.56	Joback Calculated Property
Cp,gas	826.60	J/mol×K	1137.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 4-methoxybenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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