Chemical Properties of 3-Fluoro-5-trifluoromethylbenzoic acid, 5-pentadecyl ester

InChI

InChI=1S/C23H34F4O2/c1-3-5-7-8-9-10-11-12-14-21(13-6-4-2)29-22(28)18-15-19(23(25,26)27)17-20(24)16-18/h15-17,21H,3-14H2,1-2H3

InChI Key

ZSVZLUKVDNMUFM-UHFFFAOYSA-N

Formula

C23H34F4O2

SMILES

CCCCCCCCCCC(CCCC)OC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

418.51

• 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°	-776.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1347.73	kJ/mol	Joback Calculated Property
ΔfusH°	52.76	kJ/mol	Joback Calculated Property
ΔvapH°	74.60	kJ/mol	Joback Calculated Property
log10WS	-9.12		Crippen Calculated Property
logPoct/wat	8.091		Crippen Calculated Property
McVol	325.690	ml/mol	McGowan Calculated Property
Pc	957.32	kPa	Joback Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	831.98	K	Joback Calculated Property
Tc	1020.35	K	Joback Calculated Property
Tfus	462.37	K	Joback Calculated Property
Vc	1.294	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1036.41; 1127.34]	J/mol×K	[831.98; 1020.35]
Cp,gas	1036.41	J/mol×K	831.98	Joback Calculated Property
Cp,gas	1054.07	J/mol×K	863.38	Joback Calculated Property
Cp,gas	1070.65	J/mol×K	894.77	Joback Calculated Property
Cp,gas	1086.22	J/mol×K	926.17	Joback Calculated Property
Cp,gas	1100.83	J/mol×K	957.56	Joback Calculated Property
Cp,gas	1114.52	J/mol×K	988.96	Joback Calculated Property
Cp,gas	1127.34	J/mol×K	1020.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzoic acid, 5-pentadecyl ester.

Sources

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

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