Chemical Properties of Acetanilide, 3-trifluoromethyl, acetoxy-M

InChI

InChI=1S/C11H10F3NO3/c1-6(16)15-8-3-4-10(18-7(2)17)9(5-8)11(12,13)14/h3-5H,1-2H3,(H,15,16)

InChI Key

MCLKOUJVUAKQDM-UHFFFAOYSA-N

Formula

C11H10F3NO3

SMILES

CC(=O)Nc1ccc(OC(C)=O)c(C(F)(F)F)c1

Molecular Weight¹

261.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.40	kJ/mol	Joback Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	2.589		Crippen Calculated Property
McVol	166.390	ml/mol	McGowan Calculated Property
Inp	[1840.00; 1840.00]
Inp	1840.00		NIST
Inp	1840.00		NIST
Tfus	360.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.26; 518.92]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.29400e+01
Coefficient B			1.00554e+00
Coefficient C			-6.28020e-04
Coefficient D			1.28460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.26	J/mol×K	273.00	Calculated Property
Cp,gas	295.76	J/mol×K	353.78	Calculated Property
Cp,gas	341.85	J/mol×K	434.56	Calculated Property
Cp,gas	381.93	J/mol×K	515.33	Calculated Property
Cp,gas	416.40	J/mol×K	596.11	Calculated Property
Cp,gas	445.67	J/mol×K	676.89	Calculated Property
Cp,gas	470.16	J/mol×K	757.67	Calculated Property
Cp,gas	490.25	J/mol×K	838.44	Calculated Property
Cp,gas	506.37	J/mol×K	919.22	Calculated Property
Cp,gas	518.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetanilide, 3-trifluoromethyl, acetoxy-M.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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