Chemical Properties of 3-Trifluoromethylcinnamic acid, 2-methylphenyl ester

InChI

InChI=1S/C17H13F3O2/c1-12-5-2-3-8-15(12)22-16(21)10-9-13-6-4-7-14(11-13)17(18,19)20/h2-11H,1H3/b10-9+

InChI Key

GXXNUUCTTIPXNI-MDZDMXLPSA-N

Formula

C17H13F3O2

SMILES

Cc1ccccc1OC(=O)C=Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

306.28

• 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	0.6264		Relay (... Calculated Property
ΔfG°	-437.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-793.04	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.90	kJ/mol	Joback Calculated Property
ΔvapH°	84.99	kJ/mol	Relay (... Calculated Property
IE	8.75	eV	Relay (... Calculated Property
log10WS	-5.12		Relay (... Calculated Property
logPoct/wat	4.633		Crippen Calculated Property
McVol	211.320	ml/mol	McGowan Calculated Property
Pc	2000.12	kPa	Joback Calculated Property
Inp	[1916.20; 1916.20]
Inp	1916.20		NIST
Inp	1916.20		NIST
Tboil	603.41	K	Relay (... Calculated Property
Tc	840.37	K	Relay (... Calculated Property
Tfus	349.06	K	Relay (... Calculated Property
Vc	0.742	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.45; 641.09]	J/mol×K	[726.71; 948.48]
Cp,gas	572.45	J/mol×K	726.71	Joback Calculated Property
Cp,gas	586.35	J/mol×K	763.67	Joback Calculated Property
Cp,gas	599.15	J/mol×K	800.63	Joback Calculated Property
Cp,gas	610.95	J/mol×K	837.60	Joback Calculated Property
Cp,gas	621.82	J/mol×K	874.56	Joback Calculated Property
Cp,gas	631.84	J/mol×K	911.52	Joback Calculated Property
Cp,gas	641.09	J/mol×K	948.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylcinnamic acid, 2-methylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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