Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 5-methyl-2-methoxybenzyl ester

InChI

InChI=1S/C19H18ClFO5/c1-12-9-10-15(24-2)16(11-12)25-17(22)7-4-8-18(23)26-19-13(20)5-3-6-14(19)21/h3,5-6,9-11H,4,7-8H2,1-2H3

InChI Key

QJSTXHCIRSXOCW-UHFFFAOYSA-N

Formula

C19H18ClFO5

SMILES

COc1ccc(C)cc1OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

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°	-484.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-841.98	kJ/mol	Joback Calculated Property
ΔfusH°	45.53	kJ/mol	Joback Calculated Property
ΔvapH°	89.38	kJ/mol	Joback Calculated Property
log10WS	-5.78		Crippen Calculated Property
logPoct/wat	4.477		Crippen Calculated Property
McVol	265.810	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[2730.00; 2730.00]
Inp	2730.00		NIST
Inp	2730.00		NIST
Tboil	919.10	K	Joback Calculated Property
Tc	1143.62	K	Joback Calculated Property
Tfus	603.87	K	Joback Calculated Property
Vc	1.016	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.66; 823.95]	J/mol×K	[919.10; 1143.62]
Cp,gas	776.66	J/mol×K	919.10	Joback Calculated Property
Cp,gas	787.87	J/mol×K	956.52	Joback Calculated Property
Cp,gas	797.75	J/mol×K	993.94	Joback Calculated Property
Cp,gas	806.30	J/mol×K	1031.36	Joback Calculated Property
Cp,gas	813.51	J/mol×K	1068.78	Joback Calculated Property
Cp,gas	819.39	J/mol×K	1106.20	Joback Calculated Property
Cp,gas	823.95	J/mol×K	1143.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 5-methyl-2-methoxybenzyl ester.

Sources

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

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