Chemical Properties of Trifluoroacetamide, N-(1-phenylethyl) (CAS 28332-81-2)

InChI

InChI=1S/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-7H,1H3,(H,14,15)

InChI Key

ZJFCMJDNHPXGBY-UHFFFAOYSA-N

Formula

C10H10F3NO

SMILES

CC(NC(=O)C(F)(F)F)c1ccccc1

Molecular Weight¹

217.19

CAS

28332-81-2

• 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	0.4020		Relay (1.0) Calculated Property
ΔfG°	-477.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-756.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.70	kJ/mol	Joback Calculated Property
ΔvapH°	66.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-1.78		Relay (1.0) Calculated Property
logPoct/wat	2.426		Crippen Calculated Property
McVol	144.860	ml/mol	McGowan Calculated Property
Pc	2832.35	kPa	Joback Calculated Property
Inp	[1215.00; 1215.00]
Inp	1215.00		NIST
Inp	1215.00		NIST
Tboil	481.57	K	Relay (1.0) Calculated Property
Tc	674.48	K	Relay (1.0) Calculated Property
Tfus	340.75	K	Relay (1.0) Calculated Property
Vc	0.503	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.45; 417.91]	J/mol×K	[553.06; 754.34]
Cp,gas	352.45	J/mol×K	553.06	Joback Calculated Property
Cp,gas	365.52	J/mol×K	586.61	Joback Calculated Property
Cp,gas	377.65	J/mol×K	620.15	Joback Calculated Property
Cp,gas	388.91	J/mol×K	653.70	Joback Calculated Property
Cp,gas	399.34	J/mol×K	687.25	Joback Calculated Property
Cp,gas	408.99	J/mol×K	720.79	Joback Calculated Property
Cp,gas	417.91	J/mol×K	754.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trifluoroacetamide, N-(1-phenylethyl).

Sources

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

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