Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 5-methyl-2-methoxybenzyl ester

InChI

InChI=1S/C16H18F4O5/c1-10-6-7-11(23-2)12(8-10)25-14(22)5-3-4-13(21)24-9-16(19,20)15(17)18/h6-8,15H,3-5,9H2,1-2H3

InChI Key

DWQXKXAHCJXCHK-UHFFFAOYSA-N

Formula

C16H18F4O5

SMILES

COc1ccc(C)cc1OC(=O)CCCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

366.30

• 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°	-1174.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1580.27	kJ/mol	Joback Calculated Property
ΔfusH°	38.60	kJ/mol	Joback Calculated Property
ΔvapH°	70.58	kJ/mol	Joback Calculated Property
log10WS	-4.38		Crippen Calculated Property
logPoct/wat	3.523		Crippen Calculated Property
McVol	240.370	ml/mol	McGowan Calculated Property
Pc	1561.05	kPa	Joback Calculated Property
Inp	[2008.00; 2008.00]
Inp	2008.00		NIST
Inp	2008.00		NIST
Tboil	770.53	K	Joback Calculated Property
Tc	959.51	K	Joback Calculated Property
Tfus	477.87	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[708.55; 774.00]	J/mol×K	[770.53; 959.51]
Cp,gas	708.55	J/mol×K	770.53	Joback Calculated Property
Cp,gas	721.67	J/mol×K	802.03	Joback Calculated Property
Cp,gas	733.89	J/mol×K	833.52	Joback Calculated Property
Cp,gas	745.22	J/mol×K	865.02	Joback Calculated Property
Cp,gas	755.68	J/mol×K	896.52	Joback Calculated Property
Cp,gas	765.27	J/mol×K	928.01	Joback Calculated Property
Cp,gas	774.00	J/mol×K	959.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 5-methyl-2-methoxybenzyl ester.

Sources

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

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