Chemical Properties of Trifluoroacetamide, N-[1-(2-methoxyphenyl)ethyl]

InChI

InChI=1S/C9H8F3NO2/c1-15-7-5-3-2-4-6(7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)

InChI Key

MYPKUDNIQPOXHU-UHFFFAOYSA-N

Formula

C9H8F3NO2

SMILES

COc1ccccc1NC(=O)C(F)(F)F

Molecular Weight¹

219.16

• 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	0.5066		Relay (1.0) Calculated Property
ΔfG°	-598.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-863.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.43	kJ/mol	Joback Calculated Property
ΔvapH°	66.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-1.48		Relay (1.0) Calculated Property
logPoct/wat	2.196		Crippen Calculated Property
McVol	136.640	ml/mol	McGowan Calculated Property
Pc	3009.03	kPa	Joback Calculated Property
Inp	[1386.00; 1386.00]
Inp	1386.00		NIST
Inp	1386.00		NIST
Tboil	506.31	K	Relay (1.0) Calculated Property
Tc	699.81	K	Relay (1.0) Calculated Property
Tfus	355.51	K	Relay (1.0) Calculated Property
Vc	0.479	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.61; 387.29]	J/mol×K	[558.02; 757.27]
Cp,gas	329.61	J/mol×K	558.02	Joback Calculated Property
Cp,gas	340.98	J/mol×K	591.23	Joback Calculated Property
Cp,gas	351.60	J/mol×K	624.44	Joback Calculated Property
Cp,gas	361.52	J/mol×K	657.64	Joback Calculated Property
Cp,gas	370.75	J/mol×K	690.85	Joback Calculated Property
Cp,gas	379.33	J/mol×K	724.06	Joback Calculated Property
Cp,gas	387.29	J/mol×K	757.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trifluoroacetamide, N-[1-(2-methoxyphenyl)ethyl].

Sources

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

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