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

InChI

InChI=1S/C28H43F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-27(32)22-21-25-19-18-20-26(24-25)28(29,30)31/h18-22,24H,2-17,23H2,1H3/b22-21-

InChI Key

BFSFHQUDZLDFAY-QURGRASLSA-N

Formula

C28H43F3O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1cccc(C(F)(F)F)c1

Molecular Weight¹

468.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	68.33	kJ/mol	Joback Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-9.39		Relay (1.0) Calculated Property
logPoct/wat	9.523		Crippen Calculated Property
McVol	390.070	ml/mol	McGowan Calculated Property
Pc	751.02	kPa	Joback Calculated Property
Inp	[3060.00; 3060.00]
Inp	3060.00		NIST
Inp	3060.00		NIST
Tboil	690.11	K	Relay (1.0) Calculated Property
Tfus	338.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1303.78; 1405.02]	J/mol×K	[928.86; 1138.29]
Cp,gas	1303.78	J/mol×K	928.86	Joback Calculated Property
Cp,gas	1323.44	J/mol×K	963.77	Joback Calculated Property
Cp,gas	1341.84	J/mol×K	998.67	Joback Calculated Property
Cp,gas	1359.10	J/mol×K	1033.58	Joback Calculated Property
Cp,gas	1375.31	J/mol×K	1068.48	Joback Calculated Property
Cp,gas	1390.58	J/mol×K	1103.39	Joback Calculated Property
Cp,gas	1405.02	J/mol×K	1138.29	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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