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

InChI

InChI=1S/C16H18F4O5/c1-23-12-7-5-11(6-8-12)9-24-13(21)3-2-4-14(22)25-10-16(19,20)15(17)18/h5-8,15H,2-4,9-10H2,1H3

InChI Key

MRKNHBAJYXSXFS-UHFFFAOYSA-N

Formula

C16H18F4O5

SMILES

COc1ccc(COC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc1

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°	-1165.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1568.80	kJ/mol	Joback Calculated Property
ΔfusH°	38.99	kJ/mol	Joback Calculated Property
ΔvapH°	69.92	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen Calculated Property
logPoct/wat	3.352		Crippen Calculated Property
McVol	240.370	ml/mol	McGowan Calculated Property
Pc	1579.71	kPa	Joback Calculated Property
Inp	[2096.00; 2096.00]
Inp	2096.00		NIST
Inp	2096.00		NIST
Tboil	765.55	K	Joback Calculated Property
Tc	953.67	K	Joback Calculated Property
Tfus	465.35	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.51; 775.50]	J/mol×K	[765.55; 953.67]
Cp,gas	709.51	J/mol×K	765.55	Joback Calculated Property
Cp,gas	722.72	J/mol×K	796.90	Joback Calculated Property
Cp,gas	735.03	J/mol×K	828.26	Joback Calculated Property
Cp,gas	746.45	J/mol×K	859.61	Joback Calculated Property
Cp,gas	756.99	J/mol×K	890.96	Joback Calculated Property
Cp,gas	766.66	J/mol×K	922.32	Joback Calculated Property
Cp,gas	775.50	J/mol×K	953.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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