Chemical Properties of CYCLOPENTANONE, 2,3-DIMETHYL-

InChI

InChI=1S/C7H12O/c1-5-3-4-7(8)6(5)2/h5-6H,3-4H2,1-2H3

InChI Key

NHHSVMBOTBXSFH-UHFFFAOYSA-N

Formula

C7H12O

SMILES

CC1CCC(=O)C1C

Molecular Weight¹

112.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[129.39; 369.55]	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			-2.15900e+01
Coefficient B			6.05740e-01
Coefficient C			-1.85000e-04
Coefficient D			-2.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.39	J/mol×K	273.00	Calculated Property
Cp,gas	168.24	J/mol×K	353.78	Calculated Property
Cp,gas	204.27	J/mol×K	434.56	Calculated Property
Cp,gas	237.39	J/mol×K	515.33	Calculated Property
Cp,gas	267.49	J/mol×K	596.11	Calculated Property
Cp,gas	294.49	J/mol×K	676.89	Calculated Property
Cp,gas	318.28	J/mol×K	757.67	Calculated Property
Cp,gas	338.79	J/mol×K	838.44	Calculated Property
Cp,gas	355.91	J/mol×K	919.22	Calculated Property
Cp,gas	369.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to CYCLOPENTANONE, 2,3-DIMETHYL-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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