Chemical Properties of 4-Fluoro-2-trifluoromethylbenzoic acid, nonadecyl ester

InChI

InChI=1S/C27H42F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-26(32)24-20-19-23(28)22-25(24)27(29,30)31/h19-20,22H,2-18,21H2,1H3

InChI Key

GNBOQMDTOIHUQL-UHFFFAOYSA-N

Formula

C27H42F4O2

SMILES

CCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(F)cc1C(F)(F)F

Molecular Weight¹

474.61

• 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	1.2064		Relay (1.0) Calculated Property
ΔfG°	-740.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1492.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.64	kJ/mol	Joback Calculated Property
ΔvapH°	122.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-9.26		Relay (1.0) Calculated Property
logPoct/wat	9.653		Crippen Calculated Property
McVol	382.050	ml/mol	McGowan Calculated Property
Pc	761.42	kPa	Joback Calculated Property
Inp	[2806.00; 2806.00]
Inp	2806.00		NIST
Inp	2806.00		NIST
Tboil	669.11	K	Relay (1.0) Calculated Property
Tc	849.99	K	Relay (1.0) Calculated Property
Tfus	316.39	K	Relay (1.0) Calculated Property
Vc	1.451	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1283.74; 1383.96]	J/mol×K	[923.94; 1134.00]
Cp,gas	1283.74	J/mol×K	923.94	Joback Calculated Property
Cp,gas	1303.48	J/mol×K	958.95	Joback Calculated Property
Cp,gas	1321.90	J/mol×K	993.96	Joback Calculated Property
Cp,gas	1339.07	J/mol×K	1028.97	Joback Calculated Property
Cp,gas	1355.09	J/mol×K	1063.98	Joback Calculated Property
Cp,gas	1370.02	J/mol×K	1098.99	Joback Calculated Property
Cp,gas	1383.96	J/mol×K	1134.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzoic acid, nonadecyl ester.

Sources

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

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