Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-acetylphenyl ester

InChI

InChI=1S/C16H16F4O5/c1-10(21)11-5-7-12(8-6-11)25-14(23)4-2-3-13(22)24-9-16(19,20)15(17)18/h5-8,15H,2-4,9H2,1H3

InChI Key

AQMSLCCYGXKPFI-UHFFFAOYSA-N

Formula

C16H16F4O5

SMILES

CC(=O)c1ccc(OC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc1

Molecular Weight¹

364.29

• 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°	-1188.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1549.16	kJ/mol	Joback Calculated Property
ΔfusH°	39.40	kJ/mol	Joback Calculated Property
ΔvapH°	74.25	kJ/mol	Joback Calculated Property
log10WS	-4.45		Crippen Calculated Property
logPoct/wat	3.409		Crippen Calculated Property
McVol	236.070	ml/mol	McGowan Calculated Property
Pc	1685.18	kPa	Joback Calculated Property
Inp	[2178.00; 2178.00]
Inp	2178.00		NIST
Inp	2178.00		NIST
Tboil	797.00	K	Joback Calculated Property
Tc	992.18	K	Joback Calculated Property
Tfus	493.05	K	Joback Calculated Property
Vc	0.932	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.21; 755.84]	J/mol×K	[797.00; 992.18]
Cp,gas	697.21	J/mol×K	797.00	Joback Calculated Property
Cp,gas	709.18	J/mol×K	829.53	Joback Calculated Property
Cp,gas	720.23	J/mol×K	862.06	Joback Calculated Property
Cp,gas	730.39	J/mol×K	894.59	Joback Calculated Property
Cp,gas	739.69	J/mol×K	927.12	Joback Calculated Property
Cp,gas	748.17	J/mol×K	959.65	Joback Calculated Property
Cp,gas	755.84	J/mol×K	992.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-acetylphenyl ester.

Sources

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

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