Chemical Properties of 2-CHLORO-2',6'-ACETOXYLIDIDE

InChI

InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)

InChI Key

FPQQSNUTBWFFLB-UHFFFAOYSA-N

Formula

C10H12ClNO

SMILES

Cc1cccc(C)c1NC(=O)CCl

Molecular Weight¹

197.67

Other Names

• 1-Chloroacetylamino-2,6-dimethylbenzene
• 2',6'-Acetoxylidide, 2-chloro-
• 2-Chloro-2',6'-dimethylacetanilide
• 2-Chloro-N-(2,6-dimethylphenyl)acetamide
• 2-Chloroaceto-2,6-xylidide
• Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-
• Chloroacet-2,6-xylidide
• Chloroacetamido-2,6-xylidine
• Chloroaceto-2,6-xylidide
• N-Chloroacetyl-2,6-dimethylaniline
• NSC 37260

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

Physical Properties

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	[195.98; 444.81]	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			7.53100e+00
Coefficient B			8.10940e-01
Coefficient C			-4.67620e-04
Coefficient D			9.39600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.98	J/mol×K	273.00	Calculated Property
Cp,gas	240.06	J/mol×K	353.78	Calculated Property
Cp,gas	279.34	J/mol×K	434.56	Calculated Property
Cp,gas	314.11	J/mol×K	515.33	Calculated Property
Cp,gas	344.68	J/mol×K	596.11	Calculated Property
Cp,gas	371.33	J/mol×K	676.89	Calculated Property
Cp,gas	394.38	J/mol×K	757.67	Calculated Property
Cp,gas	414.11	J/mol×K	838.44	Calculated Property
Cp,gas	430.82	J/mol×K	919.22	Calculated Property
Cp,gas	444.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-CHLORO-2',6'-ACETOXYLIDIDE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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