Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-fluorophenyl ester

InChI

InChI=1S/C14H14F4O4/c1-9(14(16,17)18)21-12(19)6-3-7-13(20)22-11-5-2-4-10(15)8-11/h2,4-5,8-9H,3,6-7H2,1H3

InChI Key

QVXSXGBKWVYKBP-UHFFFAOYSA-N

Formula

C14H14F4O4

SMILES

CC(OC(=O)CCCC(=O)Oc1cccc(F)c1)C(F)(F)F

Molecular Weight¹

322.25

• 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°	-1076.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1395.30	kJ/mol	Joback Calculated Property
ΔfusH°	32.62	kJ/mol	Joback Calculated Property
ΔvapH°	63.06	kJ/mol	Joback Calculated Property
log10WS	-4.27		Crippen Calculated Property
logPoct/wat	3.395		Crippen Calculated Property
McVol	206.320	ml/mol	McGowan Calculated Property
Pc	1878.90	kPa	Joback Calculated Property
Inp	[1652.00; 1652.00]
Inp	1652.00		NIST
Inp	1652.00		NIST
Tboil	697.37	K	Joback Calculated Property
Tc	886.33	K	Joback Calculated Property
Tfus	420.58	K	Joback Calculated Property
Vc	0.815	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[574.87; 639.27]	J/mol×K	[697.37; 886.33]
Cp,gas	574.87	J/mol×K	697.37	Joback Calculated Property
Cp,gas	587.59	J/mol×K	728.86	Joback Calculated Property
Cp,gas	599.49	J/mol×K	760.36	Joback Calculated Property
Cp,gas	610.58	J/mol×K	791.85	Joback Calculated Property
Cp,gas	620.89	J/mol×K	823.34	Joback Calculated Property
Cp,gas	630.45	J/mol×K	854.84	Joback Calculated Property
Cp,gas	639.27	J/mol×K	886.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-fluorophenyl ester.

Sources

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

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