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

• ω : Acentric Factor.
• 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).
• 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_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
ω	1.0140		Relay (1.0) Calculated Property
ΔfG°	-481.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1152.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.38	kJ/mol	Joback Calculated Property
ΔvapH°	107.53	kJ/mol	Relay (1.0) 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	962.08	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
Tc	837.20	K	Relay (1.0) Calculated Property
Tfus	326.76	K	Relay (1.0) Calculated Property
Vc	1.231	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1063.56; 1156.07]	J/mol×K	[855.21; 1049.14]
Cp,gas	1063.56	J/mol×K	855.21	Joback Calculated Property
Cp,gas	1081.34	J/mol×K	887.53	Joback Calculated Property
Cp,gas	1098.08	J/mol×K	919.85	Joback Calculated Property
Cp,gas	1113.85	J/mol×K	952.18	Joback Calculated Property
Cp,gas	1128.73	J/mol×K	984.50	Joback Calculated Property
Cp,gas	1142.78	J/mol×K	1016.82	Joback Calculated Property
Cp,gas	1156.07	J/mol×K	1049.14	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

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