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

InChI

InChI=1S/C25H38F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31-24(30)21-18-22(25(27,28)29)20-23(26)19-21/h18-20H,2-17H2,1H3

InChI Key

KIWVQHDIFASRDV-UHFFFAOYSA-N

Formula

C25H38F4O2

SMILES

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

Molecular Weight¹

446.56

• 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°	-757.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1383.73	kJ/mol	Joback Calculated Property
ΔfusH°	61.46	kJ/mol	Joback Calculated Property
ΔvapH°	79.44	kJ/mol	Joback Calculated Property
log10WS	-9.85		Crippen Calculated Property
logPoct/wat	8.873		Crippen Calculated Property
McVol	353.870	ml/mol	McGowan Calculated Property
Pc	849.00	kPa	Joback Calculated Property
Inp	[2537.00; 2537.00]
Inp	2537.00		NIST
Inp	2537.00		NIST
Tboil	878.18	K	Joback Calculated Property
Tc	1075.21	K	Joback Calculated Property
Tfus	499.91	K	Joback Calculated Property
Vc	1.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1158.56; 1253.72]	J/mol×K	[878.18; 1075.21]
Cp,gas	1158.56	J/mol×K	878.18	Joback Calculated Property
Cp,gas	1177.13	J/mol×K	911.02	Joback Calculated Property
Cp,gas	1194.54	J/mol×K	943.86	Joback Calculated Property
Cp,gas	1210.84	J/mol×K	976.70	Joback Calculated Property
Cp,gas	1226.09	J/mol×K	1009.53	Joback Calculated Property
Cp,gas	1240.36	J/mol×K	1042.37	Joback Calculated Property
Cp,gas	1253.72	J/mol×K	1075.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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