Chemical Properties of trans-3-(Trifluoromethyl)cinnamic acid, pentadecyl ester

InChI

InChI=1S/C25H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-30-24(29)19-18-22-16-15-17-23(21-22)25(26,27)28/h15-19,21H,2-14,20H2,1H3/b19-18+

InChI Key

JMWFVIXXKWTWQF-VHEBQXMUSA-N

Formula

C25H37F3O2

SMILES

CCCCCCCCCCCCCCCOC(=O)C=Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

426.56

• 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°	-472.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1058.93	kJ/mol	Joback Calculated Property
ΔfusH°	58.97	kJ/mol	Joback Calculated Property
ΔvapH°	79.55	kJ/mol	Joback Calculated Property
log10WS	-8.96		Crippen Calculated Property
logPoct/wat	8.353		Crippen Calculated Property
McVol	347.800	ml/mol	McGowan Calculated Property
Pc	907.24	kPa	Joback Calculated Property
Inp	[2718.00; 2718.00]
Inp	2718.00		NIST
Inp	2718.00		NIST
Tboil	878.09	K	Joback Calculated Property
Tc	1075.65	K	Joback Calculated Property
Tfus	481.72	K	Joback Calculated Property
Vc	1.375	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1124.88; 1219.60]	J/mol×K	[878.09; 1075.65]
Cp,gas	1124.88	J/mol×K	878.09	Joback Calculated Property
Cp,gas	1143.09	J/mol×K	911.02	Joback Calculated Property
Cp,gas	1160.22	J/mol×K	943.94	Joback Calculated Property
Cp,gas	1176.37	J/mol×K	976.87	Joback Calculated Property
Cp,gas	1191.59	J/mol×K	1009.80	Joback Calculated Property
Cp,gas	1205.98	J/mol×K	1042.73	Joback Calculated Property
Cp,gas	1219.60	J/mol×K	1075.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, pentadecyl ester.

Sources

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

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