Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester

InChI

InChI=1S/C13H13ClF2O4/c14-9-3-1-4-10(16)13(9)20-12(18)6-2-5-11(17)19-8-7-15/h1,3-4H,2,5-8H2

InChI Key

WVKQWUUJVIOIFC-UHFFFAOYSA-N

Formula

C13H13ClF2O4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCCF

Molecular Weight¹

306.69

• 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°	-717.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-995.62	kJ/mol	Joback Calculated Property
ΔfusH°	38.62	kJ/mol	Joback Calculated Property
ΔvapH°	69.19	kJ/mol	Joback Calculated Property
log10WS	-3.61		Crippen Calculated Property
logPoct/wat	3.067		Crippen Calculated Property
McVol	200.930	ml/mol	McGowan Calculated Property
Pc	2066.12	kPa	Joback Calculated Property
Inp	[1930.00; 1930.00]
Inp	1930.00		NIST
Inp	1930.00		NIST
Tboil	722.03	K	Joback Calculated Property
Tc	919.72	K	Joback Calculated Property
Tfus	463.15	K	Joback Calculated Property
Vc	0.788	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[527.64; 586.58]	J/mol×K	[722.03; 919.72]
Cp,gas	527.64	J/mol×K	722.03	Joback Calculated Property
Cp,gas	539.34	J/mol×K	754.98	Joback Calculated Property
Cp,gas	550.29	J/mol×K	787.93	Joback Calculated Property
Cp,gas	560.48	J/mol×K	820.88	Joback Calculated Property
Cp,gas	569.93	J/mol×K	853.83	Joback Calculated Property
Cp,gas	578.63	J/mol×K	886.77	Joback Calculated Property
Cp,gas	586.58	J/mol×K	919.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester.

Sources

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

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