Chemical Properties of Cyclohexane, 1-methyl-4-(1-methylbutyl)-

InChI

InChI=1S/C12H24/c1-4-5-11(3)12-8-6-10(2)7-9-12/h10-12H,4-9H2,1-3H3

InChI Key

HAYJDNGTQSBRDR-UHFFFAOYSA-N

Formula

C12H24

SMILES

CCCC(C)C1CCC(C)CC1

Molecular Weight¹

168.32

• 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	[223.88; 630.69]	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			-6.93680e+01
Coefficient B			1.24536e+00
Coefficient C			-6.57800e-04
Coefficient D			1.12500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.88	J/mol×K	273.00	Calculated Property
Cp,gas	293.86	J/mol×K	353.78	Calculated Property
Cp,gas	356.82	J/mol×K	434.56	Calculated Property
Cp,gas	413.11	J/mol×K	515.33	Calculated Property
Cp,gas	463.09	J/mol×K	596.11	Calculated Property
Cp,gas	507.10	J/mol×K	676.89	Calculated Property
Cp,gas	545.52	J/mol×K	757.67	Calculated Property
Cp,gas	578.68	J/mol×K	838.44	Calculated Property
Cp,gas	606.95	J/mol×K	919.22	Calculated Property
Cp,gas	630.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0084136; 0.0002464]	Pa×s	[213.14; 479.44]	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			-1.11341e+01
Coefficient B			1.35476e+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.			213.14
Temperature range, max.			479.44
η	0.0084136	Pa×s	213.14	Calculated Property
η	0.0038769	Pa×s	242.73	Calculated Property
η	0.0021140	Pa×s	272.32	Calculated Property
η	0.0012982	Pa×s	301.91	Calculated Property
η	0.0008698	Pa×s	331.49	Calculated Property
η	0.0006223	Pa×s	361.08	Calculated Property
η	0.0004683	Pa×s	390.67	Calculated Property
η	0.0003669	Pa×s	420.26	Calculated Property
η	0.0002968	Pa×s	449.85	Calculated Property
η	0.0002464	Pa×s	479.44	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-methyl-4-(1-methylbutyl)-.

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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