Chemical Properties of 1-Methyl-2-pentyl cyclohexene

InChI

InChI=1S/C12H22/c1-3-4-5-9-12-10-7-6-8-11(12)2/h3-10H2,1-2H3

InChI Key

FLJTYZNRIJWRKK-UHFFFAOYSA-N

Formula

C12H22

SMILES

CCCCCC1=C(C)CCCC1

Molecular Weight¹

166.30

• 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).
• I_np : Non-polar retention indices.
• 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	[218.29; 579.45]	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			-4.31860e+01
Coefficient B			1.11744e+00
Coefficient C			-6.18600e-04
Coefficient D			1.23800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.29	J/mol×K	273.00	Calculated Property
Cp,gas	280.20	J/mol×K	353.78	Calculated Property
Cp,gas	335.75	J/mol×K	434.56	Calculated Property
Cp,gas	385.33	J/mol×K	515.33	Calculated Property
Cp,gas	429.34	J/mol×K	596.11	Calculated Property
Cp,gas	468.16	J/mol×K	676.89	Calculated Property
Cp,gas	502.19	J/mol×K	757.67	Calculated Property
Cp,gas	531.83	J/mol×K	838.44	Calculated Property
Cp,gas	557.45	J/mol×K	919.22	Calculated Property
Cp,gas	579.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039283; 0.0002213]	Pa×s	[262.42; 492.96]	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			-1.16902e+01
Coefficient B			1.61404e+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.			262.42
Temperature range, max.			492.96
η	0.0039283	Pa×s	262.42	Calculated Property
η	0.0022732	Pa×s	288.04	Calculated Property
η	0.0014384	Pa×s	313.65	Calculated Property
η	0.0009753	Pa×s	339.27	Calculated Property
η	0.0006984	Pa×s	364.88	Calculated Property
η	0.0005225	Pa×s	390.50	Calculated Property
η	0.0004051	Pa×s	416.11	Calculated Property
η	0.0003235	Pa×s	441.73	Calculated Property
η	0.0002648	Pa×s	467.35	Calculated Property
η	0.0002213	Pa×s	492.96	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-2-pentyl cyclohexene.

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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