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

InChI

InChI=1S/C22H33F3O3/c1-4-6-7-8-9-10-11-12-14-16(13-5-2)28-22(26)17-15-18(23)20(25)21(27-3)19(17)24/h15-16H,4-14H2,1-3H3

InChI Key

OTZSKZIRLCUDAD-UHFFFAOYSA-N

Formula

C22H33F3O3

SMILES

CCCCCCCCCCC(CCC)OC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

402.49

• 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°	-717.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1277.39	kJ/mol	Joback Calculated Property
ΔfusH°	54.91	kJ/mol	Joback Calculated Property
ΔvapH°	78.22	kJ/mol	Joback Calculated Property
log10WS	-8.38		Crippen Calculated Property
logPoct/wat	6.969		Crippen Calculated Property
McVol	315.700	ml/mol	McGowan Calculated Property
Pc	1003.35	kPa	Joback Calculated Property
Inp	[2409.00; 2409.00]
Inp	2409.00		NIST
Inp	2409.00		NIST
Tboil	845.44	K	Joback Calculated Property
Tc	1036.30	K	Joback Calculated Property
Tfus	495.36	K	Joback Calculated Property
Vc	1.250	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[998.18; 1084.91]	J/mol×K	[845.44; 1036.30]
Cp,gas	998.18	J/mol×K	845.44	Joback Calculated Property
Cp,gas	1015.38	J/mol×K	877.25	Joback Calculated Property
Cp,gas	1031.47	J/mol×K	909.06	Joback Calculated Property
Cp,gas	1046.45	J/mol×K	940.87	Joback Calculated Property
Cp,gas	1060.34	J/mol×K	972.68	Joback Calculated Property
Cp,gas	1073.15	J/mol×K	1004.49	Joback Calculated Property
Cp,gas	1084.91	J/mol×K	1036.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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