Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-fluorophenyl ester

InChI

InChI=1S/C14H13F5O4/c15-9-3-1-4-10(7-9)23-12(21)6-2-5-11(20)22-8-14(18,19)13(16)17/h1,3-4,7,13H,2,5-6,8H2

InChI Key

RMBNSIFXQVIZAD-UHFFFAOYSA-N

Formula

C14H13F5O4

SMILES

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

Molecular Weight¹

340.24

• 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°	-1271.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1591.41	kJ/mol	Joback Calculated Property
ΔfusH°	35.70	kJ/mol	Joback Calculated Property
ΔvapH°	62.24	kJ/mol	Joback Calculated Property
log10WS	-4.12		Crippen Calculated Property
logPoct/wat	3.345		Crippen Calculated Property
McVol	208.090	ml/mol	McGowan Calculated Property
Pc	1807.70	kPa	Joback Calculated Property
Inp	[1734.00; 1734.00]
Inp	1734.00		NIST
Inp	1734.00		NIST
Tboil	696.64	K	Joback Calculated Property
Tc	879.53	K	Joback Calculated Property
Tfus	421.17	K	Joback Calculated Property
Vc	0.833	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[582.80; 645.00]	J/mol×K	[696.64; 879.53]
Cp,gas	582.80	J/mol×K	696.64	Joback Calculated Property
Cp,gas	595.05	J/mol×K	727.12	Joback Calculated Property
Cp,gas	606.52	J/mol×K	757.60	Joback Calculated Property
Cp,gas	617.22	J/mol×K	788.08	Joback Calculated Property
Cp,gas	627.19	J/mol×K	818.56	Joback Calculated Property
Cp,gas	636.44	J/mol×K	849.05	Joback Calculated Property
Cp,gas	645.00	J/mol×K	879.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-fluorophenyl ester.

Sources

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

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