Chemical Properties of Diglycolic acid, 2-chloro-6-fluorophenyl isohexyl ester

InChI

InChI=1S/C16H20ClFO5/c1-11(2)5-4-8-22-14(19)9-21-10-15(20)23-16-12(17)6-3-7-13(16)18/h3,6-7,11H,4-5,8-10H2,1-2H3

InChI Key

UFFHXJOUVHZDAK-UHFFFAOYSA-N

Formula

C16H20ClFO5

SMILES

CC(C)CCCOC(=O)COCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

346.78

• 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°	-605.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-998.93	kJ/mol	Joback Calculated Property
ΔfusH°	40.97	kJ/mol	Joback Calculated Property
ΔvapH°	78.71	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.380		Crippen Calculated Property
McVol	247.300	ml/mol	McGowan Calculated Property
Pc	1663.26	kPa	Joback Calculated Property
Inp	[2717.00; 2717.00]
Inp	2717.00		NIST
Inp	2717.00		NIST
Tboil	813.38	K	Joback Calculated Property
Tc	1016.16	K	Joback Calculated Property
Tfus	503.60	K	Joback Calculated Property
Vc	0.951	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.51; 773.32]	J/mol×K	[813.38; 1016.16]
Cp,gas	709.51	J/mol×K	813.38	Joback Calculated Property
Cp,gas	722.71	J/mol×K	847.18	Joback Calculated Property
Cp,gas	734.89	J/mol×K	880.97	Joback Calculated Property
Cp,gas	746.04	J/mol×K	914.77	Joback Calculated Property
Cp,gas	756.17	J/mol×K	948.56	Joback Calculated Property
Cp,gas	765.26	J/mol×K	982.36	Joback Calculated Property
Cp,gas	773.32	J/mol×K	1016.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-chloro-6-fluorophenyl isohexyl ester.

Sources

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

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