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

InChI

InChI=1S/C19H26ClFO5/c1-2-3-4-5-6-7-8-12-25-17(22)13-24-14-18(23)26-19-15(20)10-9-11-16(19)21/h9-11H,2-8,12-14H2,1H3

InChI Key

HFKQIFMVKMPXNE-UHFFFAOYSA-N

Formula

C19H26ClFO5

SMILES

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

Molecular Weight¹

388.86

• 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°	-577.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1055.57	kJ/mol	Joback Calculated Property
ΔfusH°	52.27	kJ/mol	Joback Calculated Property
ΔvapH°	85.78	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	4.695		Crippen Calculated Property
McVol	289.570	ml/mol	McGowan Calculated Property
Pc	1324.24	kPa	Joback Calculated Property
Inp	[3272.00; 3272.00]
Inp	3272.00		NIST
Inp	3272.00		NIST
Tboil	882.46	K	Joback Calculated Property
Tc	1085.81	K	Joback Calculated Property
Tfus	552.41	K	Joback Calculated Property
Vc	1.125	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[880.91; 946.33]	J/mol×K	[882.46; 1085.81]
Cp,gas	880.91	J/mol×K	882.46	Joback Calculated Property
Cp,gas	894.73	J/mol×K	916.35	Joback Calculated Property
Cp,gas	907.38	J/mol×K	950.24	Joback Calculated Property
Cp,gas	918.86	J/mol×K	984.13	Joback Calculated Property
Cp,gas	929.17	J/mol×K	1018.02	Joback Calculated Property
Cp,gas	938.33	J/mol×K	1051.92	Joback Calculated Property
Cp,gas	946.33	J/mol×K	1085.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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