Chemical Properties of Glutaric acid, di(4-(trifluoromethyl)benzyl) ester

InChI

InChI=1S/C21H18F6O4/c22-20(23,24)16-8-4-14(5-9-16)12-30-18(28)2-1-3-19(29)31-13-15-6-10-17(11-7-15)21(25,26)27/h4-11H,1-3,12-13H2

InChI Key

AUUSXXRTGNQAQF-UHFFFAOYSA-N

Formula

C21H18F6O4

SMILES

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

Molecular Weight¹

448.36

• 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°	-1299.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1710.41	kJ/mol	Joback Calculated Property
ΔfusH°	46.68	kJ/mol	Joback Calculated Property
ΔvapH°	79.03	kJ/mol	Joback Calculated Property
log10WS	-6.90		Crippen Calculated Property
logPoct/wat	5.681		Crippen Calculated Property
McVol	284.730	ml/mol	McGowan Calculated Property
Pc	1330.04	kPa	Joback Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	884.94	K	Joback Calculated Property
Tc	1091.05	K	Joback Calculated Property
Tfus	557.01	K	Joback Calculated Property
Vc	1.129	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.51; 941.98]	J/mol×K	[884.94; 1091.05]
Cp,gas	883.51	J/mol×K	884.94	Joback Calculated Property
Cp,gas	895.57	J/mol×K	919.29	Joback Calculated Property
Cp,gas	906.60	J/mol×K	953.64	Joback Calculated Property
Cp,gas	916.69	J/mol×K	987.99	Joback Calculated Property
Cp,gas	925.90	J/mol×K	1022.35	Joback Calculated Property
Cp,gas	934.31	J/mol×K	1056.70	Joback Calculated Property
Cp,gas	941.98	J/mol×K	1091.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(4-(trifluoromethyl)benzyl) ester.

Sources

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

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