Chemical Properties of Propanamide, 3-cyclopentyl-N-isobutyl-

InChI

InChI=1S/C12H23NO/c1-10(2)9-13-12(14)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,13,14)

InChI Key

KSZTXWMYMBKTEP-UHFFFAOYSA-N

Formula

C12H23NO

SMILES

CC(C)CNC(=O)CCC1CCCC1

Molecular Weight¹

197.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[243.61; 648.16]	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			-6.40370e+01
Coefficient B			1.32964e+00
Coefficient C			-7.89500e-04
Coefficient D			1.72060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.61	J/mol×K	273.00	Calculated Property
Cp,gas	315.17	J/mol×K	353.78	Calculated Property
Cp,gas	378.80	J/mol×K	434.56	Calculated Property
Cp,gas	435.05	J/mol×K	515.33	Calculated Property
Cp,gas	484.48	J/mol×K	596.11	Calculated Property
Cp,gas	527.61	J/mol×K	676.89	Calculated Property
Cp,gas	565.00	J/mol×K	757.67	Calculated Property
Cp,gas	597.20	J/mol×K	838.44	Calculated Property
Cp,gas	624.74	J/mol×K	919.22	Calculated Property
Cp,gas	648.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, 3-cyclopentyl-N-isobutyl-.

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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