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

InChI

InChI=1S/C27H42F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33-26(32)23-20-24(27(29,30)31)22-25(28)21-23/h20-22H,2-19H2,1H3

InChI Key

KJSFHZYQANXKNN-UHFFFAOYSA-N

Formula

C27H42F4O2

SMILES

CCCCCCCCCCCCCCCCCCCOC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

474.61

• 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°	-740.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1425.01	kJ/mol	Joback Calculated Property
ΔfusH°	66.64	kJ/mol	Joback Calculated Property
ΔvapH°	83.89	kJ/mol	Joback Calculated Property
log10WS	-10.68		Crippen 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	[2727.00; 2727.00]
Inp	2727.00		NIST
Inp	2727.00		NIST
Tboil	923.94	K	Joback Calculated Property
Tc	1134.00	K	Joback Calculated Property
Tfus	522.45	K	Joback Calculated Property
Vc	1.524	m3/kmol	Joback 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 5-Fluoro-3-trifluoromethylbenzoic acid, nonadecyl ester.

Sources

• 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.