Chemical Properties of 4-Fluoro-3-trifluoromethylbenzoic acid, eicosyl ester

InChI

InChI=1S/C28H44F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(33)24-20-21-26(29)25(23-24)28(30,31)32/h20-21,23H,2-19,22H2,1H3

InChI Key

BQLDLKXIQFNBLL-UHFFFAOYSA-N

Formula

C28H44F4O2

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(F)c(C(F)(F)F)c1

Molecular Weight¹

488.64

• 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°	-732.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1445.65	kJ/mol	Joback Calculated Property
ΔfusH°	69.23	kJ/mol	Joback Calculated Property
ΔvapH°	86.11	kJ/mol	Joback Calculated Property
log10WS	-11.10		Crippen Calculated Property
logPoct/wat	10.043		Crippen Calculated Property
McVol	396.140	ml/mol	McGowan Calculated Property
Pc	722.63	kPa	Joback Calculated Property
Inp	[2910.00; 2910.00]
Inp	2910.00		NIST
Inp	2910.00		NIST
Tboil	946.82	K	Joback Calculated Property
Tc	1165.03	K	Joback Calculated Property
Tfus	533.72	K	Joback Calculated Property
Vc	1.581	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1347.17; 1450.30]	J/mol×K	[946.82; 1165.03]
Cp,gas	1347.17	J/mol×K	946.82	Joback Calculated Property
Cp,gas	1367.59	J/mol×K	983.19	Joback Calculated Property
Cp,gas	1386.59	J/mol×K	1019.56	Joback Calculated Property
Cp,gas	1404.26	J/mol×K	1055.93	Joback Calculated Property
Cp,gas	1420.71	J/mol×K	1092.30	Joback Calculated Property
Cp,gas	1436.02	J/mol×K	1128.66	Joback Calculated Property
Cp,gas	1450.30	J/mol×K	1165.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-3-trifluoromethylbenzoic acid, eicosyl ester.

Sources

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

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