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

InChI

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

InChI Key

UHCXVSPHICTBQZ-UHFFFAOYSA-N

Formula

C25H36F6O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

482.54

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1436		Relay (1.0) Calculated Property
ΔfG°	-1144.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1870.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.21	kJ/mol	Joback Calculated Property
ΔvapH°	112.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-9.14		Relay (1.0) Calculated Property
logPoct/wat	9.362		Crippen Calculated Property
McVol	357.410	ml/mol	McGowan Calculated Property
Pc	814.93	kPa	Joback Calculated Property
Inp	[2415.00; 2415.00]
Inp	2415.00		NIST
Inp	2415.00		NIST
Tboil	643.98	K	Relay (1.0) Calculated Property
Tc	841.47	K	Relay (1.0) Calculated Property
Tfus	335.15	K	Relay (1.0) Calculated Property
Vc	1.373	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1173.29; 1266.70]	J/mol×K	[873.49; 1069.79]
Cp,gas	1173.29	J/mol×K	873.49	Joback Calculated Property
Cp,gas	1191.40	J/mol×K	906.21	Joback Calculated Property
Cp,gas	1208.39	J/mol×K	938.92	Joback Calculated Property
Cp,gas	1224.34	J/mol×K	971.64	Joback Calculated Property
Cp,gas	1239.32	J/mol×K	1004.36	Joback Calculated Property
Cp,gas	1253.41	J/mol×K	1037.08	Joback Calculated Property
Cp,gas	1266.70	J/mol×K	1069.79	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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