Chemical Properties of trans-3-Trifluoromethylcinnamic acid, but-3-yn-2-yl ester

InChI

InChI=1S/C14H11F3O2/c1-3-10(2)19-13(18)8-7-11-5-4-6-12(9-11)14(15,16)17/h1,4-10H,2H3/b8-7+

InChI Key

JJRPBUOSQJTWJN-BQYQJAHWSA-N

Formula

C14H11F3O2

SMILES

C#CC(C)OC(=O)C=Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

268.23

• 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°	-344.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-545.27	kJ/mol	Joback Calculated Property
ΔfusH°	29.94	kJ/mol	Joback Calculated Property
ΔvapH°	54.53	kJ/mol	Joback Calculated Property
log10WS	-4.26		Crippen Calculated Property
logPoct/wat	3.284		Crippen Calculated Property
McVol	184.210	ml/mol	McGowan Calculated Property
Pc	2250.40	kPa	Joback Calculated Property
Inp	[1542.00; 1542.00]
Inp	1542.00		NIST
Inp	1542.00		NIST
Tboil	616.09	K	Joback Calculated Property
Tc	825.39	K	Joback Calculated Property
Tfus	389.72	K	Joback Calculated Property
Vc	0.715	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[457.84; 524.96]	J/mol×K	[616.09; 825.39]
Cp,gas	457.84	J/mol×K	616.09	Joback Calculated Property
Cp,gas	471.22	J/mol×K	650.97	Joback Calculated Property
Cp,gas	483.64	J/mol×K	685.86	Joback Calculated Property
Cp,gas	495.17	J/mol×K	720.74	Joback Calculated Property
Cp,gas	505.85	J/mol×K	755.62	Joback Calculated Property
Cp,gas	515.76	J/mol×K	790.51	Joback Calculated Property
Cp,gas	524.96	J/mol×K	825.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, but-3-yn-2-yl ester.

Sources

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

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