Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 4-tetradecyl ester

InChI

InChI=1S/C23H32F6O2/c1-3-5-6-7-8-9-10-11-13-18(12-4-2)31-21(30)19-16-17(22(24,25)26)14-15-20(19)23(27,28)29/h14-16,18H,3-13H2,1-2H3

InChI Key

OEWPHRMHRDYTLD-UHFFFAOYSA-N

Formula

C23H32F6O2

SMILES

CCCCCCCCCCC(CCC)OC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

454.49

• 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°	-1163.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1748.70	kJ/mol	Joback Calculated Property
ΔfusH°	51.51	kJ/mol	Joback Calculated Property
ΔvapH°	71.67	kJ/mol	Joback Calculated Property
log10WS	-9.47		Crippen Calculated Property
logPoct/wat	8.581		Crippen Calculated Property
McVol	329.230	ml/mol	McGowan Calculated Property
Pc	916.61	kPa	Joback Calculated Property
Inp	[2099.00; 2099.00]
Inp	2099.00		NIST
Inp	2099.00		NIST
Tboil	827.29	K	Joback Calculated Property
Tc	1013.79	K	Joback Calculated Property
Tfus	465.97	K	Joback Calculated Property
Vc	1.319	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1052.01; 1140.20]	J/mol×K	[827.29; 1013.79]
Cp,gas	1052.01	J/mol×K	827.29	Joback Calculated Property
Cp,gas	1069.08	J/mol×K	858.37	Joback Calculated Property
Cp,gas	1085.12	J/mol×K	889.46	Joback Calculated Property
Cp,gas	1100.19	J/mol×K	920.54	Joback Calculated Property
Cp,gas	1114.35	J/mol×K	951.62	Joback Calculated Property
Cp,gas	1127.66	J/mol×K	982.70	Joback Calculated Property
Cp,gas	1140.20	J/mol×K	1013.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 4-tetradecyl ester.

Sources

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

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