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

InChI

InChI=1S/C24H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-29-23(28)18-17-21-15-14-16-22(20-21)24(25,26)27/h14-18,20H,2-13,19H2,1H3/b18-17+

InChI Key

HWKBCJSJTNQWQD-ISLYRVAYSA-N

Formula

C24H35F3O2

SMILES

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

Molecular Weight¹

412.53

• 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°	57.96	kJ/mol	Joback Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-8.06		Relay (1.0) Calculated Property
logPoct/wat	7.963		Crippen Calculated Property
McVol	333.710	ml/mol	McGowan Calculated Property
Pc	938.07	kPa	Joback Calculated Property
Inp	[2624.00; 2624.00]
Inp	2624.00		NIST
Inp	2624.00		NIST
Tboil	654.57	K	Relay (1.0) Calculated Property
Tfus	321.49	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	[1055.64; 1147.64]	J/mol×K	[837.34; 1027.97]
Cp,gas	1055.64	J/mol×K	837.34	Joback Calculated Property
Cp,gas	1073.44	J/mol×K	869.11	Joback Calculated Property
Cp,gas	1090.16	J/mol×K	900.88	Joback Calculated Property
Cp,gas	1105.87	J/mol×K	932.65	Joback Calculated Property
Cp,gas	1120.64	J/mol×K	964.42	Joback Calculated Property
Cp,gas	1134.54	J/mol×K	996.20	Joback Calculated Property
Cp,gas	1147.64	J/mol×K	1027.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, tetradecyl 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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