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

InChI

InChI=1S/C26H41F3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-26(30)21-20-22(27)24(29)25(31-2)23(21)28/h20H,3-19H2,1-2H3

InChI Key

VKCXXFKERXCBOZ-UHFFFAOYSA-N

Formula

C26H41F3O3

SMILES

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

Molecular Weight¹

458.60

• 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°	-681.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1354.67	kJ/mol	Joback Calculated Property
ΔfusH°	68.80	kJ/mol	Joback Calculated Property
ΔvapH°	87.51	kJ/mol	Joback Calculated Property
log10WS	-9.94		Crippen Calculated Property
logPoct/wat	8.531		Crippen Calculated Property
McVol	372.060	ml/mol	McGowan Calculated Property
Pc	793.94	kPa	Joback Calculated Property
Inp	[2959.00; 2959.00]
Inp	2959.00		NIST
Inp	2959.00		NIST
Tboil	937.40	K	Joback Calculated Property
Tc	1151.39	K	Joback Calculated Property
Tfus	555.44	K	Joback Calculated Property
Vc	1.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1244.80; 1336.75]	J/mol×K	[937.40; 1151.39]
Cp,gas	1244.80	J/mol×K	937.40	Joback Calculated Property
Cp,gas	1263.86	J/mol×K	973.07	Joback Calculated Property
Cp,gas	1281.39	J/mol×K	1008.73	Joback Calculated Property
Cp,gas	1297.40	J/mol×K	1044.40	Joback Calculated Property
Cp,gas	1311.95	J/mol×K	1080.06	Joback Calculated Property
Cp,gas	1325.05	J/mol×K	1115.73	Joback Calculated Property
Cp,gas	1336.75	J/mol×K	1151.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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