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

InChI

InChI=1S/C21H31F3O3/c1-4-6-7-8-9-10-11-13-15(12-5-2)27-21(25)16-14-17(22)19(24)20(26-3)18(16)23/h14-15H,4-13H2,1-3H3

InChI Key

AKADDFMEOZIHQJ-UHFFFAOYSA-N

Formula

C21H31F3O3

SMILES

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

Molecular Weight¹

388.46

• 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°	-725.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1256.75	kJ/mol	Joback Calculated Property
ΔfusH°	52.32	kJ/mol	Joback Calculated Property
ΔvapH°	75.99	kJ/mol	Joback Calculated Property
log10WS	-7.96		Crippen Calculated Property
logPoct/wat	6.579		Crippen Calculated Property
McVol	301.610	ml/mol	McGowan Calculated Property
Pc	1067.27	kPa	Joback Calculated Property
Inp	[2300.00; 2300.00]
Inp	2300.00		NIST
Inp	2300.00		NIST
Tboil	822.56	K	Joback Calculated Property
Tc	1010.16	K	Joback Calculated Property
Tfus	484.09	K	Joback Calculated Property
Vc	1.194	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[938.05; 1023.52]	J/mol×K	[822.56; 1010.16]
Cp,gas	938.05	J/mol×K	822.56	Joback Calculated Property
Cp,gas	954.87	J/mol×K	853.83	Joback Calculated Property
Cp,gas	970.64	J/mol×K	885.09	Joback Calculated Property
Cp,gas	985.38	J/mol×K	916.36	Joback Calculated Property
Cp,gas	999.10	J/mol×K	947.63	Joback Calculated Property
Cp,gas	1011.81	J/mol×K	978.89	Joback Calculated Property
Cp,gas	1023.52	J/mol×K	1010.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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