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

InChI

InChI=1S/C18H24F4O2/c1-2-3-4-5-6-7-8-9-10-24-17(23)14-11-15(18(20,21)22)13-16(19)12-14/h11-13H,2-10H2,1H3

InChI Key

UQVZKVHQYAZKET-UHFFFAOYSA-N

Formula

C18H24F4O2

SMILES

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

Molecular Weight¹

348.38

• 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°	-816.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1239.25	kJ/mol	Joback Calculated Property
ΔfusH°	43.33	kJ/mol	Joback Calculated Property
ΔvapH°	63.85	kJ/mol	Joback Calculated Property
log10WS	-6.92		Crippen Calculated Property
logPoct/wat	6.142		Crippen Calculated Property
McVol	255.240	ml/mol	McGowan Calculated Property
Pc	1312.75	kPa	Joback Calculated Property
Inp	[1853.00; 1853.00]
Inp	1853.00		NIST
Inp	1853.00		NIST
Tboil	718.02	K	Joback Calculated Property
Tc	896.17	K	Joback Calculated Property
Tfus	421.02	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[743.55; 825.17]	J/mol×K	[718.02; 896.17]
Cp,gas	743.55	J/mol×K	718.02	Joback Calculated Property
Cp,gas	759.20	J/mol×K	747.71	Joback Calculated Property
Cp,gas	774.00	J/mol×K	777.40	Joback Calculated Property
Cp,gas	787.96	J/mol×K	807.10	Joback Calculated Property
Cp,gas	801.12	J/mol×K	836.79	Joback Calculated Property
Cp,gas	813.51	J/mol×K	866.48	Joback Calculated Property
Cp,gas	825.17	J/mol×K	896.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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