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

InChI

InChI=1S/C23H35F3O3/c1-4-6-7-8-9-10-11-12-13-14-15-17(5-2)29-23(27)18-16-19(24)21(26)22(28-3)20(18)25/h16-17H,4-15H2,1-3H3

InChI Key

OYBDQOJAPLBKNJ-UHFFFAOYSA-N

Formula

C23H35F3O3

SMILES

CCCCCCCCCCCCC(CC)OC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

416.52

• 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	1.0709		Relay (... Calculated Property
ΔfG°	-709.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1203.43	kJ/mol	Relay (... Calculated Property
ΔfusH°	57.50	kJ/mol	Joback Calculated Property
ΔvapH°	109.20	kJ/mol	Relay (... Calculated Property
IE	9.02	eV	Relay (... Calculated Property
log10WS	-7.81		Relay (... Calculated Property
logPoct/wat	7.359		Crippen Calculated Property
McVol	329.790	ml/mol	McGowan Calculated Property
Pc	945.00	kPa	Joback Calculated Property
Inp	[2409.00; 2409.00]
Inp	2409.00		NIST
Inp	2409.00		NIST
Tboil	632.43	K	Relay (... Calculated Property
Tc	828.34	K	Relay (... Calculated Property
Tfus	308.95	K	Relay (... Calculated Property
Vc	1.242	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1059.02; 1146.96]	J/mol×K	[868.32; 1063.27]
Cp,gas	1059.02	J/mol×K	868.32	Joback Calculated Property
Cp,gas	1076.63	J/mol×K	900.81	Joback Calculated Property
Cp,gas	1093.03	J/mol×K	933.30	Joback Calculated Property
Cp,gas	1108.24	J/mol×K	965.79	Joback Calculated Property
Cp,gas	1122.29	J/mol×K	998.28	Joback Calculated Property
Cp,gas	1135.19	J/mol×K	1030.78	Joback Calculated Property
Cp,gas	1146.96	J/mol×K	1063.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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