Chemical Properties of trans-Cinnamamide, N-(4-methoxyphenyl)-3-trifluoromethyl-

InChI

InChI=1S/C17H14F3NO2/c1-23-15-8-6-14(7-9-15)21-16(22)10-5-12-3-2-4-13(11-12)17(18,19)20/h2-11H,1H3,(H,21,22)/b10-5+

InChI Key

CBNQBQRHCQWJHR-BJMVGYQFSA-N

Formula

C17H14F3NO2

SMILES

COc1ccc(NC(=O)C=Cc2cccc(C(F)(F)F)c2)cc1

Molecular Weight¹

321.29

• 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	0.7093		Relay (1.0) Calculated Property
ΔfG°	-348.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-740.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.00	kJ/mol	Joback Calculated Property
ΔvapH°	94.37	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	4.366		Crippen Calculated Property
McVol	221.300	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[2506.00; 2506.00]
Inp	2506.00		NIST
Inp	2506.00		NIST
Tboil	657.07	K	Relay (1.0) Calculated Property
Tc	908.26	K	Relay (1.0) Calculated Property
Tfus	409.77	K	Relay (1.0) Calculated Property
Vc	0.764	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.62; 689.25]	J/mol×K	[776.88; 997.81]
Cp,gas	624.62	J/mol×K	776.88	Joback Calculated Property
Cp,gas	637.71	J/mol×K	813.70	Joback Calculated Property
Cp,gas	649.76	J/mol×K	850.52	Joback Calculated Property
Cp,gas	660.85	J/mol×K	887.34	Joback Calculated Property
Cp,gas	671.08	J/mol×K	924.17	Joback Calculated Property
Cp,gas	680.52	J/mol×K	960.99	Joback Calculated Property
Cp,gas	689.25	J/mol×K	997.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Cinnamamide, N-(4-methoxyphenyl)-3-trifluoromethyl-.

Sources

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

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