Chemical Properties of cis-4-Tert-butylcyclohexyl methyl ketone

InChI

InChI=1S/C12H22O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+

InChI Key

YMGRIFHYJBXCDV-PHIMTYICSA-N

Formula

C12H22O

SMILES

CC(=O)[C@H]1CC[C@@H](C(C)(C)C)CC1

Molecular Weight¹

182.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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	[223.66; 620.64]	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			-8.48000e+01
Coefficient B			1.33728e+00
Coefficient C			-8.07700e-04
Coefficient D			1.75860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.66	J/mol×K	273.00	Calculated Property
Cp,gas	295.00	J/mol×K	353.78	Calculated Property
Cp,gas	358.23	J/mol×K	434.56	Calculated Property
Cp,gas	413.91	J/mol×K	515.33	Calculated Property
Cp,gas	462.60	J/mol×K	596.11	Calculated Property
Cp,gas	504.86	J/mol×K	676.89	Calculated Property
Cp,gas	541.23	J/mol×K	757.67	Calculated Property
Cp,gas	572.29	J/mol×K	838.44	Calculated Property
Cp,gas	598.57	J/mol×K	919.22	Calculated Property
Cp,gas	620.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056569; 0.0002787]	Pa×s	[280.49; 527.39]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16053e+01
Coefficient B			1.80367e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			280.49
Temperature range, max.			527.39
η	0.0056569	Pa×s	280.49	Calculated Property
η	0.0031899	Pa×s	307.92	Calculated Property
η	0.0019755	Pa×s	335.36	Calculated Property
η	0.0013154	Pa×s	362.79	Calculated Property
η	0.0009274	Pa×s	390.22	Calculated Property
η	0.0006846	Pa×s	417.65	Calculated Property
η	0.0005246	Pa×s	445.09	Calculated Property
η	0.0004146	Pa×s	472.52	Calculated Property
η	0.0003363	Pa×s	499.95	Calculated Property
η	0.0002787	Pa×s	527.39	Calculated Property

Similar Compounds

Find more compounds similar to cis-4-Tert-butylcyclohexyl methyl ketone.

Sources

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

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