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

InChI

InChI=1S/C14H16ClFO5/c1-9(2)6-20-12(17)7-19-8-13(18)21-14-10(15)4-3-5-11(14)16/h3-5,9H,6-8H2,1-2H3

InChI Key

PGSUEGREMXMQLZ-UHFFFAOYSA-N

Formula

C14H16ClFO5

SMILES

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

Molecular Weight¹

318.73

• 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°	-621.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-957.65	kJ/mol	Joback Calculated Property
ΔfusH°	35.79	kJ/mol	Joback Calculated Property
ΔvapH°	74.26	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	2.600		Crippen Calculated Property
McVol	219.120	ml/mol	McGowan Calculated Property
Pc	1957.87	kPa	Joback Calculated Property
Inp	[2456.00; 2456.00]
Inp	2456.00		NIST
Inp	2456.00		NIST
Tboil	767.62	K	Joback Calculated Property
Tc	972.47	K	Joback Calculated Property
Tfus	481.06	K	Joback Calculated Property
Vc	0.839	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.32; 660.76]	J/mol×K	[767.62; 972.47]
Cp,gas	599.32	J/mol×K	767.62	Joback Calculated Property
Cp,gas	611.89	J/mol×K	801.76	Joback Calculated Property
Cp,gas	623.54	J/mol×K	835.90	Joback Calculated Property
Cp,gas	634.26	J/mol×K	870.05	Joback Calculated Property
Cp,gas	644.04	J/mol×K	904.19	Joback Calculated Property
Cp,gas	652.88	J/mol×K	938.33	Joback Calculated Property
Cp,gas	660.76	J/mol×K	972.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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