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

InChI

InChI=1S/C21H30ClFO4/c22-16-9-5-3-1-2-4-6-10-17-26-20(24)14-11-15-21(25)27-19-13-8-7-12-18(19)23/h7-8,12-13H,1-6,9-11,14-17H2

InChI Key

CTINSQNLZTYWBE-UHFFFAOYSA-N

Formula

C21H30ClFO4

SMILES

O=C(CCCC(=O)Oc1ccccc1F)OCCCCCCCCCCCl

Molecular Weight¹

400.91

• 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°	-445.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-953.16	kJ/mol	Joback Calculated Property
ΔfusH°	56.65	kJ/mol	Joback Calculated Property
ΔvapH°	87.16	kJ/mol	Joback Calculated Property
log10WS	-6.57		Crippen Calculated Property
logPoct/wat	5.804		Crippen Calculated Property
McVol	311.880	ml/mol	McGowan Calculated Property
Pc	1182.53	kPa	Joback Calculated Property
Inp	[2892.00; 2892.00]
Inp	2892.00		NIST
Inp	2892.00		NIST
Tboil	900.82	K	Joback Calculated Property
Tc	1105.50	K	Joback Calculated Property
Tfus	540.20	K	Joback Calculated Property
Vc	1.218	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.49; 1043.79]	J/mol×K	[900.82; 1105.50]
Cp,gas	971.49	J/mol×K	900.82	Joback Calculated Property
Cp,gas	986.38	J/mol×K	934.93	Joback Calculated Property
Cp,gas	1000.10	J/mol×K	969.05	Joback Calculated Property
Cp,gas	1012.67	J/mol×K	1003.16	Joback Calculated Property
Cp,gas	1024.12	J/mol×K	1037.27	Joback Calculated Property
Cp,gas	1034.48	J/mol×K	1071.39	Joback Calculated Property
Cp,gas	1043.79	J/mol×K	1105.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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