Chemical Properties of Cyclohexanone, 2,5,5-trimethyl-3-(1-methylethylidene)- (CAS 38696-32-1)

InChI

InChI=1S/C12H20O/c1-8(2)10-6-12(4,5)7-11(13)9(10)3/h9H,6-7H2,1-5H3

InChI Key

RFBHAUFEDARVON-UHFFFAOYSA-N

Formula

C12H20O

SMILES

CC(C)=C1CC(C)(C)CC(=O)C1C

Molecular Weight¹

180.29

CAS

38696-32-1

Other Names

• Cyclohexanone, 3-isopropylidene-2,5,5-trimethyl-
• 2,5,5-Trimethyl-3-(1-methylethylidene)cyclohexanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[219.10; 602.36]	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			-6.98400e+01
Coefficient B			1.28550e+00
Coefficient C			-9.14000e-04
Coefficient D			3.00700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.10	J/mol×K	273.00	Calculated Property
Cp,gas	283.86	J/mol×K	353.78	Calculated Property
Cp,gas	340.86	J/mol×K	434.56	Calculated Property
Cp,gas	391.04	J/mol×K	515.33	Calculated Property
Cp,gas	435.37	J/mol×K	596.11	Calculated Property
Cp,gas	474.78	J/mol×K	676.89	Calculated Property
Cp,gas	510.24	J/mol×K	757.67	Calculated Property
Cp,gas	542.69	J/mol×K	838.44	Calculated Property
Cp,gas	573.08	J/mol×K	919.22	Calculated Property
Cp,gas	602.36	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2,5,5-trimethyl-3-(1-methylethylidene)-.

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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