Chemical Properties of Diglycolic acid, di(2-chloro-6-fluorophenyl) ester

InChI

InChI=1S/C16H10Cl2F2O5/c17-9-3-1-5-11(19)15(9)24-13(21)7-23-8-14(22)25-16-10(18)4-2-6-12(16)20/h1-6H,7-8H2

InChI Key

NQZBCBAJCFLKCS-UHFFFAOYSA-N

Formula

C16H10Cl2F2O5

SMILES

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

Molecular Weight¹

391.15

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8603		Relay (1.0) Calculated Property
ΔfG°	-716.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-972.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.04	kJ/mol	Joback Calculated Property
ΔvapH°	108.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	3.799		Crippen Calculated Property
McVol	237.550	ml/mol	McGowan Calculated Property
Pc	1991.21	kPa	Joback Calculated Property
Inp	[3062.00; 3062.00]
Inp	3062.00		NIST
Inp	3062.00		NIST
Tboil	623.41	K	Relay (1.0) Calculated Property
Tc	910.71	K	Relay (1.0) Calculated Property
Tfus	378.02	K	Relay (1.0) Calculated Property
Vc	0.860	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[636.13; 672.96]	J/mol×K	[887.16; 1112.88]
Cp,gas	636.13	J/mol×K	887.16	Joback Calculated Property
Cp,gas	645.17	J/mol×K	924.78	Joback Calculated Property
Cp,gas	653.06	J/mol×K	962.40	Joback Calculated Property
Cp,gas	659.79	J/mol×K	1000.02	Joback Calculated Property
Cp,gas	665.36	J/mol×K	1037.64	Joback Calculated Property
Cp,gas	669.75	J/mol×K	1075.26	Joback Calculated Property
Cp,gas	672.96	J/mol×K	1112.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(2-chloro-6-fluorophenyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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