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

InChI

InChI=1S/C19H27F3O3/c1-3-4-5-6-7-8-9-10-11-12-25-19(23)14-13-15(20)17(22)18(24-2)16(14)21/h13H,3-12H2,1-2H3

InChI Key

YUSVYGSZQZGROO-UHFFFAOYSA-N

Formula

C19H27F3O3

SMILES

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

Molecular Weight¹

360.41

• 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°	-740.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1210.19	kJ/mol	Joback Calculated Property
ΔfusH°	50.67	kJ/mol	Joback Calculated Property
ΔvapH°	71.93	kJ/mol	Joback Calculated Property
log10WS	-7.01		Crippen Calculated Property
logPoct/wat	5.800		Crippen Calculated Property
McVol	273.430	ml/mol	McGowan Calculated Property
Pc	1208.15	kPa	Joback Calculated Property
Inp	[2251.00; 2251.00]
Inp	2251.00		NIST
Inp	2251.00		NIST
Tboil	777.24	K	Joback Calculated Property
Tc	959.21	K	Joback Calculated Property
Tfus	476.55	K	Joback Calculated Property
Vc	1.087	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[819.75; 901.98]	J/mol×K	[777.24; 959.21]
Cp,gas	819.75	J/mol×K	777.24	Joback Calculated Property
Cp,gas	835.67	J/mol×K	807.57	Joback Calculated Property
Cp,gas	850.70	J/mol×K	837.90	Joback Calculated Property
Cp,gas	864.84	J/mol×K	868.22	Joback Calculated Property
Cp,gas	878.09	J/mol×K	898.55	Joback Calculated Property
Cp,gas	890.47	J/mol×K	928.88	Joback Calculated Property
Cp,gas	901.98	J/mol×K	959.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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