Chemical Properties of Glutaric acid, 2-methylhex-3-yl 4-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C20H27F3O4/c1-4-6-17(14(2)3)27-19(25)8-5-7-18(24)26-13-15-9-11-16(12-10-15)20(21,22)23/h9-12,14,17H,4-8,13H2,1-3H3

InChI Key

WQPFIAYWZBXOOG-UHFFFAOYSA-N

Formula

C20H27F3O4

SMILES

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

Molecular Weight¹

388.42

• 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°	-834.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1328.31	kJ/mol	Joback Calculated Property
ΔfusH°	41.56	kJ/mol	Joback Calculated Property
ΔvapH°	76.84	kJ/mol	Joback Calculated Property
log10WS	-6.07		Crippen Calculated Property
logPoct/wat	5.287		Crippen Calculated Property
McVol	289.090	ml/mol	McGowan Calculated Property
Pc	1248.61	kPa	Joback Calculated Property
Inp	[2371.00; 2371.00]
Inp	2371.00		NIST
Inp	2371.00		NIST
Tboil	834.94	K	Joback Calculated Property
Tc	1030.90	K	Joback Calculated Property
Tfus	472.61	K	Joback Calculated Property
Vc	1.127	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[901.96; 978.03]	J/mol×K	[834.94; 1030.90]
Cp,gas	901.96	J/mol×K	834.94	Joback Calculated Property
Cp,gas	917.22	J/mol×K	867.60	Joback Calculated Property
Cp,gas	931.40	J/mol×K	900.26	Joback Calculated Property
Cp,gas	944.52	J/mol×K	932.92	Joback Calculated Property
Cp,gas	956.65	J/mol×K	965.58	Joback Calculated Property
Cp,gas	967.80	J/mol×K	998.24	Joback Calculated Property
Cp,gas	978.03	J/mol×K	1030.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 4-(trifluoromethyl)benzyl ester.

Sources

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

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