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

InChI

InChI=1S/C14H14F6O2/c1-2-3-4-7-22-12(21)10-8-9(13(15,16)17)5-6-11(10)14(18,19)20/h5-6,8H,2-4,7H2,1H3

InChI Key

WGXUBPDVMRWRAC-UHFFFAOYSA-N

Formula

C14H14F6O2

SMILES

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

Molecular Weight¹

328.25

• 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°	-1236.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1557.66	kJ/mol	Joback Calculated Property
ΔfusH°	31.72	kJ/mol	Joback Calculated Property
ΔvapH°	52.02	kJ/mol	Joback Calculated Property
log10WS	-5.60		Crippen Calculated Property
logPoct/wat	5.071		Crippen Calculated Property
McVol	202.420	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[1364.00; 1364.00]
Inp	1364.00		NIST
Inp	1364.00		NIST
Tboil	621.81	K	Joback Calculated Property
Tc	796.67	K	Joback Calculated Property
Tfus	379.54	K	Joback Calculated Property
Vc	0.822	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.98; 616.98]	J/mol×K	[621.81; 796.67]
Cp,gas	547.98	J/mol×K	621.81	Joback Calculated Property
Cp,gas	561.36	J/mol×K	650.95	Joback Calculated Property
Cp,gas	573.93	J/mol×K	680.10	Joback Calculated Property
Cp,gas	585.74	J/mol×K	709.24	Joback Calculated Property
Cp,gas	596.83	J/mol×K	738.38	Joback Calculated Property
Cp,gas	607.23	J/mol×K	767.52	Joback Calculated Property
Cp,gas	616.98	J/mol×K	796.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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