Chemical Properties of 2,5-Diethyl cyclopentanone (CAS 16429-03-1)

InChI

InChI=1S/C9H16O/c1-3-7-5-6-8(4-2)9(7)10/h7-8H,3-6H2,1-2H3

InChI Key

CIISROPQPGGRTG-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CCC1CCC(CC)C1=O

Molecular Weight¹

140.22

CAS

16429-03-1

• 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).
• 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	[171.81; 472.73]	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			-2.34080e+01
Coefficient B			7.95740e-01
Coefficient C			-2.93800e-04
Coefficient D			-5.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.81	J/mol×K	273.00	Calculated Property
Cp,gas	221.08	J/mol×K	353.78	Calculated Property
Cp,gas	266.43	J/mol×K	434.56	Calculated Property
Cp,gas	307.85	J/mol×K	515.33	Calculated Property
Cp,gas	345.31	J/mol×K	596.11	Calculated Property
Cp,gas	378.81	J/mol×K	676.89	Calculated Property
Cp,gas	408.32	J/mol×K	757.67	Calculated Property
Cp,gas	433.82	J/mol×K	838.44	Calculated Property
Cp,gas	455.30	J/mol×K	919.22	Calculated Property
Cp,gas	472.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Diethyl cyclopentanone.

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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