Chemical Properties of Cyclohexane, 1,4-dimethyl-2-(2-methylpropyl)-, (1«alpha»,2«beta»,4«alpha»)- (CAS 54411-17-5)

InChI

InChI=1S/C12H24/c1-9(2)7-12-8-10(3)5-6-11(12)4/h9-12H,5-8H2,1-4H3

InChI Key

ZYJPKZNMMTYTPA-UHFFFAOYSA-N

Formula

C12H24

SMILES

CC(C)CC1CC(C)CCC1C

Molecular Weight¹

168.32

CAS

54411-17-5

Other Names

• cis,trans,cis-1-Isobutyl-2,5-dimethylcyclohexane
• Cyclohexane, 1,4-dimethyl-2-(2-methylpropyl)-, (1R,2R,4R)-rel-
• 2-Isobutyl-1,4-dimethylcyclohexane, (1«alpha»,2«beta»,4«alpha»)-
• cyclohexane, 1,4-dimethyl-2-(2-methylpropyl)-, (1«beta»,2«alpha»,5«beta»)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point 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 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	[226.14; 637.35]	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			-6.34290e+01
Coefficient B			1.21888e+00
Coefficient C			-6.02400e-04
Coefficient D			8.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.14	J/mol×K	273.00	Calculated Property
Cp,gas	296.12	J/mol×K	353.78	Calculated Property
Cp,gas	359.40	J/mol×K	434.56	Calculated Property
Cp,gas	416.26	J/mol×K	515.33	Calculated Property
Cp,gas	466.95	J/mol×K	596.11	Calculated Property
Cp,gas	511.76	J/mol×K	676.89	Calculated Property
Cp,gas	550.93	J/mol×K	757.67	Calculated Property
Cp,gas	584.74	J/mol×K	838.44	Calculated Property
Cp,gas	613.46	J/mol×K	919.22	Calculated Property
Cp,gas	637.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049638; 0.0002537]	Pa×s	[208.90; 475.97]	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			-1.06051e+01
Coefficient B			1.10707e+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.			208.90
Temperature range, max.			475.97
η	0.0049638	Pa×s	208.90	Calculated Property
η	0.0025677	Pa×s	238.57	Calculated Property
η	0.0015367	Pa×s	268.25	Calculated Property
η	0.0010188	Pa×s	297.92	Calculated Property
η	0.0007276	Pa×s	327.60	Calculated Property
η	0.0005495	Pa×s	357.27	Calculated Property
η	0.0004333	Pa×s	386.95	Calculated Property
η	0.0003534	Pa×s	416.62	Calculated Property
η	0.0002962	Pa×s	446.30	Calculated Property
η	0.0002537	Pa×s	475.97	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,4-dimethyl-2-(2-methylpropyl)-, (1«alpha»,2«beta»,4«alpha»)-.

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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