Chemical Properties of Glutaric acid, 8-chlorooctyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C19H25Cl2FO4/c20-13-5-3-1-2-4-6-14-25-17(23)11-8-12-18(24)26-19-15(21)9-7-10-16(19)22/h7,9-10H,1-6,8,11-14H2

InChI Key

CGATXVMRULGOQR-UHFFFAOYSA-N

Formula

C19H25Cl2FO4

SMILES

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

Molecular Weight¹

407.30

• 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°	-484.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-939.09	kJ/mol	Joback Calculated Property
ΔfusH°	55.28	kJ/mol	Joback Calculated Property
ΔvapH°	87.75	kJ/mol	Joback Calculated Property
log10WS	-6.42		Crippen Calculated Property
logPoct/wat	5.677		Crippen Calculated Property
McVol	295.940	ml/mol	McGowan Calculated Property
Pc	1305.17	kPa	Joback Calculated Property
Inp	[2838.00; 2838.00]
Inp	2838.00		NIST
Inp	2838.00		NIST
Tboil	897.47	K	Joback Calculated Property
Tc	1104.54	K	Joback Calculated Property
Tfus	560.10	K	Joback Calculated Property
Vc	1.155	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[877.66; 940.62]	J/mol×K	[897.47; 1104.54]
Cp,gas	877.66	J/mol×K	897.47	Joback Calculated Property
Cp,gas	890.84	J/mol×K	931.98	Joback Calculated Property
Cp,gas	902.91	J/mol×K	966.49	Joback Calculated Property
Cp,gas	913.91	J/mol×K	1001.00	Joback Calculated Property
Cp,gas	923.84	J/mol×K	1035.52	Joback Calculated Property
Cp,gas	932.74	J/mol×K	1070.03	Joback Calculated Property
Cp,gas	940.62	J/mol×K	1104.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 2-chloro-6-fluorophenyl ester.

Sources

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

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