Chemical Properties of N-(5-Chloro-2-methylphenyl)-2,2,2-trifluoroacetamide

InChI

InChI=1S/C9H7ClF3NO/c1-5-2-3-6(10)4-7(5)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)

InChI Key

IASIUFGKIUHRAG-UHFFFAOYSA-N

Formula

C9H7ClF3NO

SMILES

Cc1ccc(Cl)cc1NC(=O)C(F)(F)F

Molecular Weight¹

237.61

• 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	0.4839		Relay (1.0) Calculated Property
ΔfG°	-515.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-774.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.05	kJ/mol	Joback Calculated Property
ΔvapH°	67.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-2.65		Relay (1.0) Calculated Property
logPoct/wat	3.149		Crippen Calculated Property
McVol	143.010	ml/mol	McGowan Calculated Property
Pc	2896.73	kPa	Joback Calculated Property
Inp	[1354.00; 1354.00]
Inp	1354.00		NIST
Inp	1354.00		NIST
Tboil	509.34	K	Relay (1.0) Calculated Property
Tc	706.92	K	Relay (1.0) Calculated Property
Tfus	375.98	K	Relay (1.0) Calculated Property
Vc	0.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.31; 382.46]	J/mol×K	[578.01; 784.51]
Cp,gas	330.31	J/mol×K	578.01	Joback Calculated Property
Cp,gas	340.76	J/mol×K	612.43	Joback Calculated Property
Cp,gas	350.45	J/mol×K	646.84	Joback Calculated Property
Cp,gas	359.43	J/mol×K	681.26	Joback Calculated Property
Cp,gas	367.73	J/mol×K	715.68	Joback Calculated Property
Cp,gas	375.39	J/mol×K	750.10	Joback Calculated Property
Cp,gas	382.46	J/mol×K	784.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(5-Chloro-2-methylphenyl)-2,2,2-trifluoroacetamide.

Sources

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

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