Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, decyl ester

InChI

InChI=1S/C18H25F3O3/c1-3-4-5-6-7-8-9-10-11-24-18(22)13-12-14(19)16(21)17(23-2)15(13)20/h12H,3-11H2,1-2H3

InChI Key

UXZLLTILUQVRNI-UHFFFAOYSA-N

Formula

C18H25F3O3

SMILES

CCCCCCCCCCOC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

346.38

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9434		Relay (... Calculated Property
ΔfG°	-748.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1096.26	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.08	kJ/mol	Joback Calculated Property
ΔvapH°	91.40	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-6.67		Relay (... Calculated Property
logPoct/wat	5.410		Crippen Calculated Property
McVol	259.340	ml/mol	McGowan Calculated Property
Pc	1293.00	kPa	Joback Calculated Property
Inp	[2144.00; 2144.00]
Inp	2144.00		NIST
Inp	2144.00		NIST
Tboil	596.27	K	Relay (... Calculated Property
Tc	790.32	K	Relay (... Calculated Property
Tfus	307.58	K	Relay (... Calculated Property
Vc	0.989	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.23; 842.74]	J/mol×K	[754.36; 934.90]
Cp,gas	762.23	J/mol×K	754.36	Joback Calculated Property
Cp,gas	777.73	J/mol×K	784.45	Joback Calculated Property
Cp,gas	792.39	J/mol×K	814.54	Joback Calculated Property
Cp,gas	806.22	J/mol×K	844.63	Joback Calculated Property
Cp,gas	819.22	J/mol×K	874.72	Joback Calculated Property
Cp,gas	831.39	J/mol×K	904.81	Joback Calculated Property
Cp,gas	842.74	J/mol×K	934.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, decyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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