Chemical Properties of Acetamide, 2-chloro-N-(2,6-diethylphenyl)- (CAS 6967-29-9)

InChI

InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)

InChI Key

LBJVHMAYBNQJBK-UHFFFAOYSA-N

Formula

C12H16ClNO

SMILES

CCc1cccc(CC)c1NC(=O)CCl

Molecular Weight¹

225.72

CAS

6967-29-9

Other Names

• 2-Chloro-2',6'-diethylacetanilide
• 2-Chloro-N-(2,6-diethylphenyl)acetamide
• Chloro-N-(2,6-diethylphenyl)acetamide
• N-2'-Chloroacetyl-2,6-diethylaniline

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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°	30.99	kJ/mol	Joback Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	2.989		Crippen Calculated Property
McVol	179.970	ml/mol	McGowan Calculated Property
Inp	[289.93; 1721.00]
Inp	1716.00		NIST
Inp	1721.00		NIST
Inp	289.93		NIST
Inp	289.93		NIST
Inp	1716.00		NIST
Tboil	576.39	K	Relay (1.0) Calculated Property
Tfus	403.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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, Ionization energy 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	[238.41; 547.99]	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			5.71300e+00
Coefficient B			1.00094e+00
Coefficient C			-5.76420e-04
Coefficient D			1.17760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.41	J/mol×K	273.00	Calculated Property
Cp,gas	292.89	J/mol×K	353.78	Calculated Property
Cp,gas	341.49	J/mol×K	434.56	Calculated Property
Cp,gas	384.57	J/mol×K	515.33	Calculated Property
Cp,gas	422.50	J/mol×K	596.11	Calculated Property
Cp,gas	455.66	J/mol×K	676.89	Calculated Property
Cp,gas	484.41	J/mol×K	757.67	Calculated Property
Cp,gas	509.14	J/mol×K	838.44	Calculated Property
Cp,gas	530.21	J/mol×K	919.22	Calculated Property
Cp,gas	547.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2-chloro-N-(2,6-diethylphenyl)-.

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

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.
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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