Chemical Properties of 5-Octen-2-one, 6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 55638-41-0)

InChI

InChI=1S/C18H30O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h8H,6-7,9-13H2,1-5H3/b14-8+

InChI Key

JJTXQCMHUFFVOF-RIYZIHGNSA-N

Formula

C18H30O

SMILES

CC(=O)CCC=C(C)CCC1=C(C)CCCC1(C)C

Molecular Weight¹

262.43

CAS

55638-41-0

• 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).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.35; 814.71]	J/mol×K	[698.06; 903.89]
Cp,gas	704.35	J/mol×K	698.06	Joback Calculated Property
Cp,gas	724.57	J/mol×K	732.36	Joback Calculated Property
Cp,gas	743.90	J/mol×K	766.67	Joback Calculated Property
Cp,gas	762.45	J/mol×K	800.97	Joback Calculated Property
Cp,gas	780.35	J/mol×K	835.28	Joback Calculated Property
Cp,gas	797.73	J/mol×K	869.58	Joback Calculated Property
Cp,gas	814.71	J/mol×K	903.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Octen-2-one, 6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

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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