Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-ethylhexyl ester

InChI

InChI=1S/C16H21F3O3/c1-4-6-7-10(5-2)9-22-16(20)11-8-12(17)14(19)15(21-3)13(11)18/h8,10H,4-7,9H2,1-3H3

InChI Key

MEWBYBUKMFLKMO-UHFFFAOYSA-N

Formula

C16H21F3O3

SMILES

CCCCC(CC)COC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

318.33

• 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	0.8002		Relay (... Calculated Property
ΔfG°	-768.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1066.59	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.37	kJ/mol	Joback Calculated Property
ΔvapH°	81.24	kJ/mol	Relay (... Calculated Property
IE	8.86	eV	Relay (... Calculated Property
log10WS	-5.88		Relay (... Calculated Property
logPoct/wat	4.486		Crippen Calculated Property
McVol	231.160	ml/mol	McGowan Calculated Property
Pc	1501.15	kPa	Joback Calculated Property
Inp	[1865.00; 1865.00]
Inp	1865.00		NIST
Inp	1865.00		NIST
Tboil	576.20	K	Relay (... Calculated Property
Tc	766.24	K	Relay (... Calculated Property
Tfus	257.00	K	Relay (... Calculated Property
Vc	0.847	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[650.90; 728.25]	J/mol×K	[708.16; 889.80]
Cp,gas	650.90	J/mol×K	708.16	Joback Calculated Property
Cp,gas	665.69	J/mol×K	738.43	Joback Calculated Property
Cp,gas	679.72	J/mol×K	768.71	Joback Calculated Property
Cp,gas	692.99	J/mol×K	798.98	Joback Calculated Property
Cp,gas	705.51	J/mol×K	829.25	Joback Calculated Property
Cp,gas	717.26	J/mol×K	859.52	Joback Calculated Property
Cp,gas	728.25	J/mol×K	889.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-ethylhexyl ester.

Sources

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

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