Chemical Properties of 5-Fluoro-3-trifluoromethylbenzoic acid, undecyl ester

InChI

InChI=1S/C19H26F4O2/c1-2-3-4-5-6-7-8-9-10-11-25-18(24)15-12-16(19(21,22)23)14-17(20)13-15/h12-14H,2-11H2,1H3

InChI Key

BYQKQXHWACWUFR-UHFFFAOYSA-N

Formula

C19H26F4O2

SMILES

CCCCCCCCCCCOC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

362.40

• 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°	-808.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1259.89	kJ/mol	Joback Calculated Property
ΔfusH°	45.92	kJ/mol	Joback Calculated Property
ΔvapH°	66.08	kJ/mol	Joback Calculated Property
log10WS	-7.34		Crippen Calculated Property
logPoct/wat	6.532		Crippen Calculated Property
McVol	269.330	ml/mol	McGowan Calculated Property
Pc	1225.98	kPa	Joback Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
Tboil	740.90	K	Joback Calculated Property
Tc	919.72	K	Joback Calculated Property
Tfus	432.29	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[800.14; 883.62]	J/mol×K	[740.90; 919.72]
Cp,gas	800.14	J/mol×K	740.90	Joback Calculated Property
Cp,gas	816.18	J/mol×K	770.70	Joback Calculated Property
Cp,gas	831.31	J/mol×K	800.51	Joback Calculated Property
Cp,gas	845.59	J/mol×K	830.31	Joback Calculated Property
Cp,gas	859.04	J/mol×K	860.11	Joback Calculated Property
Cp,gas	871.71	J/mol×K	889.92	Joback Calculated Property
Cp,gas	883.62	J/mol×K	919.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Fluoro-3-trifluoromethylbenzoic acid, undecyl ester.

Sources

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

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