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

InChI

InChI=1S/C19H19FO5/c1-23-15-11-9-14(10-12-15)13-24-18(21)7-4-8-19(22)25-17-6-3-2-5-16(17)20/h2-3,5-6,9-12H,4,7-8,13H2,1H3

InChI Key

XAWRJWWUZLKFLA-UHFFFAOYSA-N

Formula

C19H19FO5

SMILES

COc1ccc(COC(=O)CCCC(=O)Oc2ccccc2F)cc1

Molecular Weight¹

346.35

• 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°	-452.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-803.30	kJ/mol	Joback Calculated Property
ΔfusH°	42.11	kJ/mol	Joback Calculated Property
ΔvapH°	83.67	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	3.653		Crippen Calculated Property
McVol	253.570	ml/mol	McGowan Calculated Property
Pc	1765.41	kPa	Joback Calculated Property
Inp	[2680.00; 2680.00]
Inp	2680.00		NIST
Inp	2680.00		NIST
Tboil	871.71	K	Joback Calculated Property
Tc	1090.66	K	Joback Calculated Property
Tfus	548.91	K	Joback Calculated Property
Vc	0.968	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[757.50; 815.68]	J/mol×K	[871.71; 1090.66]
Cp,gas	757.50	J/mol×K	871.71	Joback Calculated Property
Cp,gas	770.34	J/mol×K	908.20	Joback Calculated Property
Cp,gas	781.90	J/mol×K	944.69	Joback Calculated Property
Cp,gas	792.21	J/mol×K	981.18	Joback Calculated Property
Cp,gas	801.27	J/mol×K	1017.68	Joback Calculated Property
Cp,gas	809.09	J/mol×K	1054.17	Joback Calculated Property
Cp,gas	815.68	J/mol×K	1090.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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