Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 10-chlorodecyl ester

InChI

InChI=1S/C21H29Cl2FO4/c22-15-7-5-3-1-2-4-6-8-16-27-19(25)13-10-14-20(26)28-21-17(23)11-9-12-18(21)24/h9,11-12H,1-8,10,13-16H2

InChI Key

UBMNAFWUIRSFLG-UHFFFAOYSA-N

Formula

C21H29Cl2FO4

SMILES

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

Molecular Weight¹

435.36

• 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°	-467.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-980.37	kJ/mol	Joback Calculated Property
ΔfusH°	60.46	kJ/mol	Joback Calculated Property
ΔvapH°	92.20	kJ/mol	Joback Calculated Property
log10WS	-7.26		Crippen Calculated Property
logPoct/wat	6.458		Crippen Calculated Property
McVol	324.120	ml/mol	McGowan Calculated Property
Pc	1141.34	kPa	Joback Calculated Property
Inp	[3039.00; 3039.00]
Inp	3039.00		NIST
Inp	3039.00		NIST
Tboil	943.23	K	Joback Calculated Property
Tc	1155.86	K	Joback Calculated Property
Tfus	582.64	K	Joback Calculated Property
Vc	1.268	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[995.46; 1059.69]	J/mol×K	[943.23; 1155.86]
Cp,gas	995.46	J/mol×K	943.23	Joback Calculated Property
Cp,gas	1009.14	J/mol×K	978.67	Joback Calculated Property
Cp,gas	1021.59	J/mol×K	1014.11	Joback Calculated Property
Cp,gas	1032.84	J/mol×K	1049.54	Joback Calculated Property
Cp,gas	1042.92	J/mol×K	1084.98	Joback Calculated Property
Cp,gas	1051.86	J/mol×K	1120.42	Joback Calculated Property
Cp,gas	1059.69	J/mol×K	1155.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 10-chlorodecyl ester.

Sources

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

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