Chemical Properties of Benzeneamine, 3-isopropyloxy, N-2-trifluoromethylbenzoyl

InChI

InChI=1S/C18H18F3NO2/c1-12(2)24-14-7-5-6-13(10-14)11-22-17(23)15-8-3-4-9-16(15)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)

InChI Key

IGEYRLXBAHPXCP-UHFFFAOYSA-N

Formula

C18H18F3NO2

SMILES

CC(C)Oc1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1

Molecular Weight¹

337.34

• 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).
• 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
ΔfG°	-422.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-758.42	kJ/mol	Joback Calculated Property
ΔfusH°	35.87	kJ/mol	Joback Calculated Property
ΔvapH°	73.00	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	4.423		Crippen Calculated Property
McVol	239.690	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[2185.00; 2185.00]
Inp	2185.00		NIST
Inp	2185.00		NIST
Tboil	795.16	K	Joback Calculated Property
Tc	1010.04	K	Joback Calculated Property
Tfus	484.51	K	Joback Calculated Property
Vc	0.923	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[705.65; 774.97]	J/mol×K	[795.16; 1010.04]
Cp,gas	705.65	J/mol×K	795.16	Joback Calculated Property
Cp,gas	719.75	J/mol×K	830.97	Joback Calculated Property
Cp,gas	732.74	J/mol×K	866.79	Joback Calculated Property
Cp,gas	744.69	J/mol×K	902.60	Joback Calculated Property
Cp,gas	755.67	J/mol×K	938.41	Joback Calculated Property
Cp,gas	765.74	J/mol×K	974.23	Joback Calculated Property
Cp,gas	774.97	J/mol×K	1010.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneamine, 3-isopropyloxy, N-2-trifluoromethylbenzoyl.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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