Chemical Properties of 2-Fluoro-5-trifluoromethylbenzoic acid, 4-pentadecyl ester

InChI

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

InChI Key

CJFGTPCQQCESCA-UHFFFAOYSA-N

Formula

C23H34F4O2

SMILES

CCCCCCCCCCCC(CCC)OC(=O)c1cc(C(F)(F)F)ccc1F

Molecular Weight¹

418.51

• 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	1.0016		Relay (1.0) Calculated Property
ΔfG°	-776.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1428.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.76	kJ/mol	Joback Calculated Property
ΔvapH°	103.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-7.89		Relay (1.0) 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	[2268.00; 2268.00]
Inp	2268.00		NIST
Inp	2268.00		NIST
Tboil	626.28	K	Relay (1.0) Calculated Property
Tc	814.28	K	Relay (1.0) Calculated Property
Tfus	301.58	K	Relay (1.0) Calculated Property
Vc	1.219	m3/kmol	Relay (1.0) 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 2-Fluoro-5-trifluoromethylbenzoic acid, 4-pentadecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.