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

InChI

InChI=1S/C18H22F6O2/c1-2-3-4-5-6-7-8-11-26-16(25)14-12-13(17(19,20)21)9-10-15(14)18(22,23)24/h9-10,12H,2-8,11H2,1H3

InChI Key

UYQHNMVCSRXLFH-UHFFFAOYSA-N

Formula

C18H22F6O2

SMILES

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

Molecular Weight¹

384.36

• 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°	-1203.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1640.22	kJ/mol	Joback Calculated Property
ΔfusH°	42.08	kJ/mol	Joback Calculated Property
ΔvapH°	60.92	kJ/mol	Joback Calculated Property
log10WS	-7.27		Crippen Calculated Property
logPoct/wat	6.632		Crippen Calculated Property
McVol	258.780	ml/mol	McGowan Calculated Property
Pc	1247.73	kPa	Joback Calculated Property
Inp	[1751.00; 1751.00]
Inp	1751.00		NIST
Inp	1751.00		NIST
Tboil	713.33	K	Joback Calculated Property
Tc	887.66	K	Joback Calculated Property
Tfus	424.62	K	Joback Calculated Property
Vc	1.046	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.33; 839.13]	J/mol×K	[713.33; 887.66]
Cp,gas	761.33	J/mol×K	713.33	Joback Calculated Property
Cp,gas	776.32	J/mol×K	742.39	Joback Calculated Property
Cp,gas	790.45	J/mol×K	771.44	Joback Calculated Property
Cp,gas	803.75	J/mol×K	800.50	Joback Calculated Property
Cp,gas	816.27	J/mol×K	829.55	Joback Calculated Property
Cp,gas	828.05	J/mol×K	858.61	Joback Calculated Property
Cp,gas	839.13	J/mol×K	887.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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