Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C15H16ClF3O5/c1-9(15(17,18)19)23-13(20)4-3-5-14(21)24-11-7-6-10(16)8-12(11)22-2/h6-9H,3-5H2,1-2H3

InChI Key

QZIXQOAYHINRTO-UHFFFAOYSA-N

Formula

C15H16ClF3O5

SMILES

COc1cc(Cl)ccc1OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

368.73

• 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°	-1000.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1379.26	kJ/mol	Joback Calculated Property
ΔfusH°	37.13	kJ/mol	Joback Calculated Property
ΔvapH°	73.56	kJ/mol	Joback Calculated Property
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	3.918		Crippen Calculated Property
McVol	236.750	ml/mol	McGowan Calculated Property
Pc	1697.70	kPa	Joback Calculated Property
Inp	[2014.00; 2014.00]
Inp	2014.00		NIST
Inp	2014.00		NIST
Tboil	785.81	K	Joback Calculated Property
Tc	984.61	K	Joback Calculated Property
Tfus	495.93	K	Joback Calculated Property
Vc	0.919	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.15; 730.36]	J/mol×K	[785.81; 984.61]
Cp,gas	671.15	J/mol×K	785.81	Joback Calculated Property
Cp,gas	683.29	J/mol×K	818.94	Joback Calculated Property
Cp,gas	694.51	J/mol×K	852.08	Joback Calculated Property
Cp,gas	704.81	J/mol×K	885.21	Joback Calculated Property
Cp,gas	714.21	J/mol×K	918.34	Joback Calculated Property
Cp,gas	722.72	J/mol×K	951.48	Joback Calculated Property
Cp,gas	730.36	J/mol×K	984.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-chloro-2-methoxyphenyl ester.

Sources

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

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