Chemical Properties of N-(1,4-dimethylpentyl) acetoacetamide (CAS 73622-68-1)

InChI

InChI=1S/C11H21NO2/c1-8(2)5-6-9(3)12-11(14)7-10(4)13/h8-9H,5-7H2,1-4H3,(H,12,14)

InChI Key

NDOJWLCHAUMMPF-UHFFFAOYSA-N

Formula

C11H21NO2

SMILES

CC(=O)CC(=O)NC(C)CCC(C)C

Molecular Weight¹

199.29

CAS

73622-68-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[256.24; 602.83]	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			3.03300e+00
Coefficient B			1.08088e+00
Coefficient C			-5.92200e-04
Coefficient D			1.11120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.24	J/mol×K	273.00	Calculated Property
Cp,gas	316.23	J/mol×K	353.78	Calculated Property
Cp,gas	370.02	J/mol×K	434.56	Calculated Property
Cp,gas	417.98	J/mol×K	515.33	Calculated Property
Cp,gas	460.46	J/mol×K	596.11	Calculated Property
Cp,gas	497.80	J/mol×K	676.89	Calculated Property
Cp,gas	530.35	J/mol×K	757.67	Calculated Property
Cp,gas	558.48	J/mol×K	838.44	Calculated Property
Cp,gas	582.52	J/mol×K	919.22	Calculated Property
Cp,gas	602.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-(1,4-dimethylpentyl) acetoacetamide.

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

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