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

InChI

InChI=1S/C18H15BrClFO5/c1-24-15-10-11(19)8-9-14(15)25-16(22)6-3-7-17(23)26-18-12(20)4-2-5-13(18)21/h2,4-5,8-10H,3,6-7H2,1H3

InChI Key

YILCDVFVMLKWRN-UHFFFAOYSA-N

Formula

C18H15BrClFO5

SMILES

COc1cc(Br)ccc1OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

445.66

• 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°	-478.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-795.01	kJ/mol	Joback Calculated Property
ΔfusH°	48.23	kJ/mol	Joback Calculated Property
ΔvapH°	93.59	kJ/mol	Joback Calculated Property
log10WS	-6.47		Crippen Calculated Property
logPoct/wat	4.931		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[2943.00; 2943.00]
Inp	2943.00		NIST
Inp	2943.00		NIST
Tboil	962.38	K	Joback Calculated Property
Tc	1197.75	K	Joback Calculated Property
Tfus	652.40	K	Joback Calculated Property
Vc	1.022	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.97; 782.97]	J/mol×K	[962.38; 1197.75]
Cp,gas	747.97	J/mol×K	962.38	Joback Calculated Property
Cp,gas	757.05	J/mol×K	1001.61	Joback Calculated Property
Cp,gas	764.82	J/mol×K	1040.84	Joback Calculated Property
Cp,gas	771.30	J/mol×K	1080.07	Joback Calculated Property
Cp,gas	776.47	J/mol×K	1119.29	Joback Calculated Property
Cp,gas	780.36	J/mol×K	1158.52	Joback Calculated Property
Cp,gas	782.97	J/mol×K	1197.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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