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

InChI

InChI=1S/C13H14ClFO5/c1-2-6-19-11(16)7-18-8-12(17)20-13-9(14)4-3-5-10(13)15/h3-5H,2,6-8H2,1H3

InChI Key

HUYVOBCWIFSENW-UHFFFAOYSA-N

Formula

C13H14ClFO5

SMILES

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

Molecular Weight¹

304.70

• 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°	-627.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-931.73	kJ/mol	Joback Calculated Property
ΔfusH°	36.73	kJ/mol	Joback Calculated Property
ΔvapH°	72.42	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	2.354		Crippen Calculated Property
McVol	205.030	ml/mol	McGowan Calculated Property
Pc	2119.73	kPa	Joback Calculated Property
Inp	[2386.00; 2386.00]
Inp	2386.00		NIST
Inp	2386.00		NIST
Tboil	745.18	K	Joback Calculated Property
Tc	948.83	K	Joback Calculated Property
Tfus	484.79	K	Joback Calculated Property
Vc	0.788	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.22; 604.36]	J/mol×K	[745.18; 948.83]
Cp,gas	545.22	J/mol×K	745.18	Joback Calculated Property
Cp,gas	557.20	J/mol×K	779.12	Joback Calculated Property
Cp,gas	568.33	J/mol×K	813.06	Joback Calculated Property
Cp,gas	578.63	J/mol×K	847.00	Joback Calculated Property
Cp,gas	588.08	J/mol×K	880.94	Joback Calculated Property
Cp,gas	596.65	J/mol×K	914.88	Joback Calculated Property
Cp,gas	604.36	J/mol×K	948.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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