Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C16H19F3O6/c1-10(16(17,18)19)24-13(20)8-5-9-14(21)25-15-11(22-2)6-4-7-12(15)23-3/h4,6-7,10H,5,8-9H2,1-3H3

InChI Key

ZDJKJERKSPVZQE-UHFFFAOYSA-N

Formula

C16H19F3O6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

364.31

• 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°	-1084.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1516.38	kJ/mol	Joback Calculated Property
ΔfusH°	36.71	kJ/mol	Joback Calculated Property
ΔvapH°	73.81	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen Calculated Property
logPoct/wat	3.273		Crippen Calculated Property
McVol	244.470	ml/mol	McGowan Calculated Property
Pc	1596.17	kPa	Joback Calculated Property
Inp	[2018.00; 2018.00]
Inp	2018.00		NIST
Inp	2018.00		NIST
Tboil	793.68	K	Joback Calculated Property
Tc	988.08	K	Joback Calculated Property
Tfus	499.51	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.23; 792.64]	J/mol×K	[793.68; 988.08]
Cp,gas	728.23	J/mol×K	793.68	Joback Calculated Property
Cp,gas	741.44	J/mol×K	826.08	Joback Calculated Property
Cp,gas	753.66	J/mol×K	858.48	Joback Calculated Property
Cp,gas	764.89	J/mol×K	890.88	Joback Calculated Property
Cp,gas	775.12	J/mol×K	923.28	Joback Calculated Property
Cp,gas	784.38	J/mol×K	955.68	Joback Calculated Property
Cp,gas	792.64	J/mol×K	988.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethoxyphenyl ester.

Sources

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

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