Chemical Properties of 2,4,4-trimethylcyclohexanone (CAS 2230-70-8)

InChI

InChI=1S/C9H16O/c1-7-6-9(2,3)5-4-8(7)10/h7H,4-6H2,1-3H3

InChI Key

JEANOXXXGPLTOI-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC1CC(C)(C)CCC1=O

Molecular Weight¹

140.22

CAS

2230-70-8

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.44; 389.26]	J/mol×K	[488.26; 714.57]
Cp,gas	292.44	J/mol×K	488.26	Joback Calculated Property
Cp,gas	310.90	J/mol×K	525.98	Joback Calculated Property
Cp,gas	328.31	J/mol×K	563.70	Joback Calculated Property
Cp,gas	344.77	J/mol×K	601.42	Joback Calculated Property
Cp,gas	360.36	J/mol×K	639.14	Joback Calculated Property
Cp,gas	375.16	J/mol×K	676.85	Joback Calculated Property
Cp,gas	389.26	J/mol×K	714.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,4-trimethylcyclohexanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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