Chemical Properties of 2,6-Difluoro-3-methylbenzamide, N-(3-methylphenyl)-

InChI

InChI=1S/C15H13F2NO/c1-9-4-3-5-11(8-9)18-15(19)13-12(16)7-6-10(2)14(13)17/h3-8H,1-2H3,(H,18,19)

InChI Key

KSYNOUFKEDSJDO-UHFFFAOYSA-N

Formula

C15H13F2NO

SMILES

Cc1cccc(NC(=O)c2c(F)ccc(C)c2F)c1

Molecular Weight¹

261.27

• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.99	kJ/mol	Joback Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	3.834		Crippen Calculated Property
McVol	189.780	ml/mol	McGowan Calculated Property
Inp	[2174.00; 2174.00]
Inp	2174.00		NIST
Inp	2174.00		NIST
Tboil	616.38	K	Relay (1.0) Calculated Property
Tfus	392.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[252.88; 584.03]	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			-3.03000e+00
Coefficient B			1.10484e+00
Coefficient C			-6.49140e-04
Coefficient D			1.31360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.88	J/mol×K	273.00	Calculated Property
Cp,gas	312.41	J/mol×K	353.78	Calculated Property
Cp,gas	365.28	J/mol×K	434.56	Calculated Property
Cp,gas	411.92	J/mol×K	515.33	Calculated Property
Cp,gas	452.73	J/mol×K	596.11	Calculated Property
Cp,gas	488.14	J/mol×K	676.89	Calculated Property
Cp,gas	518.56	J/mol×K	757.67	Calculated Property
Cp,gas	544.40	J/mol×K	838.44	Calculated Property
Cp,gas	566.09	J/mol×K	919.22	Calculated Property
Cp,gas	584.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzamide, N-(3-methylphenyl)-.

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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