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

InChI

InChI=1S/C15H16ClF3O4/c1-10(15(17,18)19)23-14(21)4-2-3-13(20)22-9-11-5-7-12(16)8-6-11/h5-8,10H,2-4,9H2,1H3

InChI Key

NNJXINGABOFNOQ-UHFFFAOYSA-N

Formula

C15H16ClF3O4

SMILES

CC(OC(=O)CCCC(=O)OCc1ccc(Cl)cc1)C(F)(F)F

Molecular Weight¹

352.73

• 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°	-885.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-1235.57	kJ/mol	Joback Calculated Property
ΔfusH°	36.33	kJ/mol	Joback Calculated Property
ΔvapH°	70.48	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	4.047		Crippen Calculated Property
McVol	230.880	ml/mol	McGowan Calculated Property
Pc	1743.37	kPa	Joback Calculated Property
Inp	[1951.00; 1951.00]
Inp	1951.00		NIST
Inp	1951.00		NIST
Tboil	758.41	K	Joback Calculated Property
Tc	956.61	K	Joback Calculated Property
Tfus	461.18	K	Joback Calculated Property
Vc	0.901	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[646.01; 708.36]	J/mol×K	[758.41; 956.61]
Cp,gas	646.01	J/mol×K	758.41	Joback Calculated Property
Cp,gas	658.57	J/mol×K	791.44	Joback Calculated Property
Cp,gas	670.22	J/mol×K	824.48	Joback Calculated Property
Cp,gas	681.00	J/mol×K	857.51	Joback Calculated Property
Cp,gas	690.93	J/mol×K	890.54	Joback Calculated Property
Cp,gas	700.04	J/mol×K	923.57	Joback Calculated Property
Cp,gas	708.36	J/mol×K	956.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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