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

InChI

InChI=1S/C25H36F6O2/c1-3-5-6-7-8-9-10-11-12-13-15-20(14-4-2)33-23(32)21-18-19(24(26,27)28)16-17-22(21)25(29,30)31/h16-18,20H,3-15H2,1-2H3

InChI Key

CBDUKYKCABNRLP-UHFFFAOYSA-N

Formula

C25H36F6O2

SMILES

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

Molecular Weight¹

482.54

• 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°	-1146.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1789.98	kJ/mol	Joback Calculated Property
ΔfusH°	56.68	kJ/mol	Joback Calculated Property
ΔvapH°	76.12	kJ/mol	Joback Calculated Property
log10WS	-10.31		Crippen Calculated Property
logPoct/wat	9.361		Crippen Calculated Property
McVol	357.410	ml/mol	McGowan Calculated Property
Pc	818.66	kPa	Joback Calculated Property
Inp	[2287.00; 2287.00]
Inp	2287.00		NIST
Inp	2287.00		NIST
Tboil	873.05	K	Joback Calculated Property
Tc	1068.99	K	Joback Calculated Property
Tfus	488.51	K	Joback Calculated Property
Vc	1.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1173.75; 1266.76]	J/mol×K	[873.05; 1068.99]
Cp,gas	1173.75	J/mol×K	873.05	Joback Calculated Property
Cp,gas	1191.82	J/mol×K	905.71	Joback Calculated Property
Cp,gas	1208.75	J/mol×K	938.36	Joback Calculated Property
Cp,gas	1224.64	J/mol×K	971.02	Joback Calculated Property
Cp,gas	1239.55	J/mol×K	1003.68	Joback Calculated Property
Cp,gas	1253.56	J/mol×K	1036.33	Joback Calculated Property
Cp,gas	1266.76	J/mol×K	1068.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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