Chemical Properties of trans-2-Isopropyl-4-t-butylcyclohexanone (CAS 54513-98-3)

InChI

InChI=1S/C13H24O/c1-9(2)11-8-10(13(3,4)5)6-7-12(11)14/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1

InChI Key

INDSELFFLOGICC-GHMZBOCLSA-N

Formula

C13H24O

SMILES

CC(C)C1CC(C(C)(C)C)CCC1=O

Molecular Weight¹

196.33

CAS

54513-98-3

• 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	[492.77; 611.47]	J/mol×K	[575.87; 796.38]
Cp,gas	492.77	J/mol×K	575.87	Joback Calculated Property
Cp,gas	515.76	J/mol×K	612.62	Joback Calculated Property
Cp,gas	537.43	J/mol×K	649.37	Joback Calculated Property
Cp,gas	557.82	J/mol×K	686.13	Joback Calculated Property
Cp,gas	576.94	J/mol×K	722.88	Joback Calculated Property
Cp,gas	594.81	J/mol×K	759.63	Joback Calculated Property
Cp,gas	611.47	J/mol×K	796.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-2-Isopropyl-4-t-butylcyclohexanone.

Sources

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

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