Chemical Properties of trans-3-Trifluoromethylcinnamic acid, undec-2-enyl ester

InChI

InChI=1S/C21H27F3O2/c1-2-3-4-5-6-7-8-9-10-16-26-20(25)15-14-18-12-11-13-19(17-18)21(22,23)24/h9-15,17H,2-8,16H2,1H3/b10-9+,15-14+

InChI Key

WRRAJOZIRTUBBW-ZNGCIPOTSA-N

Formula

C21H27F3O2

SMILES

CCCCCCCCC=CCOC(=O)C=Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

368.43

• 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°	-426.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-859.15	kJ/mol	Joback Calculated Property
ΔfusH°	48.81	kJ/mol	Joback Calculated Property
ΔvapH°	70.60	kJ/mol	Joback Calculated Property
log10WS	-7.14		Crippen Calculated Property
logPoct/wat	6.569		Crippen Calculated Property
McVol	287.140	ml/mol	McGowan Calculated Property
Pc	1202.29	kPa	Joback Calculated Property
Inp	[2318.00; 2318.00]
Inp	2318.00		NIST
Inp	2318.00		NIST
Tboil	790.73	K	Joback Calculated Property
Tc	982.47	K	Joback Calculated Property
Tfus	431.56	K	Joback Calculated Property
Vc	1.131	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[859.15; 943.74]	J/mol×K	[790.73; 982.47]
Cp,gas	859.15	J/mol×K	790.73	Joback Calculated Property
Cp,gas	875.34	J/mol×K	822.69	Joback Calculated Property
Cp,gas	890.60	J/mol×K	854.64	Joback Calculated Property
Cp,gas	905.00	J/mol×K	886.60	Joback Calculated Property
Cp,gas	918.61	J/mol×K	918.56	Joback Calculated Property
Cp,gas	931.50	J/mol×K	950.51	Joback Calculated Property
Cp,gas	943.74	J/mol×K	982.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, undec-2-enyl ester.

Sources

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

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