Chemical Properties of 2-Methoxycyclohexanone (CAS 7429-44-9)

InChI

InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3

InChI Key

JYJURPHZXCLFDX-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

COC1CCCCC1=O

Molecular Weight¹

128.17

CAS

7429-44-9

Other Names

• Cyclohexanone, 2-methoxy-

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Pressure, Critical Volume, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.63; 383.17]	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			-7.15000e+00
Coefficient B			5.59420e-01
Coefficient C			-8.30000e-05
Coefficient D			-8.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.63	J/mol×K	273.00	Calculated Property
Cp,gas	176.56	J/mol×K	353.78	Calculated Property
Cp,gas	213.21	J/mol×K	434.56	Calculated Property
Cp,gas	247.31	J/mol×K	515.33	Calculated Property
Cp,gas	278.59	J/mol×K	596.11	Calculated Property
Cp,gas	306.78	J/mol×K	676.89	Calculated Property
Cp,gas	331.61	J/mol×K	757.67	Calculated Property
Cp,gas	352.80	J/mol×K	838.44	Calculated Property
Cp,gas	370.07	J/mol×K	919.22	Calculated Property
Cp,gas	383.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxycyclohexanone.

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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