Chemical Properties of Ethanone, 1-(1-methylcyclohexyl)- (CAS 2890-62-2)

InChI

InChI=1S/C9H16O/c1-8(10)9(2)6-4-3-5-7-9/h3-7H2,1-2H3

InChI Key

UBMBCDFRVPGSSQ-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC(=O)C1(C)CCCCC1

Molecular Weight¹

140.22

CAS

2890-62-2

Other Names

• 1-(1-Methyl-cyclohexyl)-ethanone
• 1-(1-Methyl-3-cyclohexen-3-yl)ethanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[46.10; 54.60]	kJ/mol	[384.00; 394.00]
ΔvapH	54.60	kJ/mol	384.00	NIST
ΔvapH	46.10	kJ/mol	394.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.28; 465.07]	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			-1.13530e+02
Coefficient B			1.24484e+00
Coefficient C			-1.06070e-03
Coefficient D			3.94460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.28	J/mol×K	273.00	Calculated Property
Cp,gas	211.58	J/mol×K	353.78	Calculated Property
Cp,gas	259.49	J/mol×K	434.56	Calculated Property
Cp,gas	300.27	J/mol×K	515.33	Calculated Property
Cp,gas	335.17	J/mol×K	596.11	Calculated Property
Cp,gas	365.43	J/mol×K	676.89	Calculated Property
Cp,gas	392.31	J/mol×K	757.67	Calculated Property
Cp,gas	417.04	J/mol×K	838.44	Calculated Property
Cp,gas	440.88	J/mol×K	919.22	Calculated Property
Cp,gas	465.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(1-methylcyclohexyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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