Chemical Properties of Glutaric acid, 3-chlorophenyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C15H13ClF6O4/c16-9-3-1-4-10(7-9)26-12(24)6-2-5-11(23)25-8-14(18,19)13(17)15(20,21)22/h1,3-4,7,13H,2,5-6,8H2

InChI Key

FAWGFUNBZDUGTL-UHFFFAOYSA-N

Formula

C15H13ClF6O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

406.70

• 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°	-1467.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1832.65	kJ/mol	Joback Calculated Property
ΔfusH°	38.16	kJ/mol	Joback Calculated Property
ΔvapH°	66.74	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	4.495		Crippen Calculated Property
McVol	236.190	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[1900.00; 1900.00]
Inp	1900.00		NIST
Inp	1900.00		NIST
Tboil	752.99	K	Joback Calculated Property
Tc	941.04	K	Joback Calculated Property
Tfus	465.37	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.59; 728.22]	J/mol×K	[752.99; 941.04]
Cp,gas	671.59	J/mol×K	752.99	Joback Calculated Property
Cp,gas	683.00	J/mol×K	784.33	Joback Calculated Property
Cp,gas	693.57	J/mol×K	815.67	Joback Calculated Property
Cp,gas	703.34	J/mol×K	847.02	Joback Calculated Property
Cp,gas	712.34	J/mol×K	878.36	Joback Calculated Property
Cp,gas	720.62	J/mol×K	909.70	Joback Calculated Property
Cp,gas	728.22	J/mol×K	941.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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