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

InChI

InChI=1S/C14H14F6O2/c1-3-8(2)7-22-12(21)10-6-9(13(15,16)17)4-5-11(10)14(18,19)20/h4-6,8H,3,7H2,1-2H3

InChI Key

MEWZYRLJFCRUKX-UHFFFAOYSA-N

Formula

C14H14F6O2

SMILES

CCC(C)COC(=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°	-1239.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1562.94	kJ/mol	Joback Calculated Property
ΔfusH°	28.20	kJ/mol	Joback Calculated Property
ΔvapH°	51.63	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	4.927		Crippen Calculated Property
McVol	202.420	ml/mol	McGowan Calculated Property
Pc	1681.03	kPa	Joback Calculated Property
Inp	[1323.00; 1323.00]
Inp	1323.00		NIST
Inp	1323.00		NIST
Tboil	621.37	K	Joback Calculated Property
Tc	799.00	K	Joback Calculated Property
Tfus	364.54	K	Joback Calculated Property
Vc	0.816	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.42; 618.48]	J/mol×K	[621.37; 799.00]
Cp,gas	548.42	J/mol×K	621.37	Joback Calculated Property
Cp,gas	562.04	J/mol×K	650.98	Joback Calculated Property
Cp,gas	574.84	J/mol×K	680.58	Joback Calculated Property
Cp,gas	586.84	J/mol×K	710.19	Joback Calculated Property
Cp,gas	598.09	J/mol×K	739.79	Joback Calculated Property
Cp,gas	608.63	J/mol×K	769.40	Joback Calculated Property
Cp,gas	618.48	J/mol×K	799.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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