Chemical Properties of 2,6-Octadiene, 4-methyl- (CAS 74498-94-5)

InChI

InChI=1S/C9H16/c1-4-6-8-9(3)7-5-2/h4-7,9H,8H2,1-3H3/b6-4+,7-5+

InChI Key

UVAJNHJZOQGXLA-YDFGWWAZSA-N

Formula

C9H16

SMILES

CC=CCC(C)C=CC

Molecular Weight¹

124.22

CAS

74498-94-5

Other Names

• 4-methyl-2,6-octadiene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.09; 423.02]	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			-3.53390e+01
Coefficient B			9.04760e-01
Coefficient C			-6.36600e-04
Coefficient D			1.90200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.09	J/mol×K	273.00	Calculated Property
Cp,gas	213.49	J/mol×K	353.78	Calculated Property
Cp,gas	253.22	J/mol×K	434.56	Calculated Property
Cp,gas	287.88	J/mol×K	515.33	Calculated Property
Cp,gas	318.07	J/mol×K	596.11	Calculated Property
Cp,gas	344.39	J/mol×K	676.89	Calculated Property
Cp,gas	367.45	J/mol×K	757.67	Calculated Property
Cp,gas	387.84	J/mol×K	838.44	Calculated Property
Cp,gas	406.16	J/mol×K	919.22	Calculated Property
Cp,gas	423.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0100379; 0.0001551]	Pa×s	[166.03; 418.19]	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			-1.15169e+01
Coefficient B			1.14818e+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.			166.03
Temperature range, max.			418.19
η	0.0100379	Pa×s	166.03	Calculated Property
η	0.0036983	Pa×s	194.05	Calculated Property
η	0.0017530	Pa×s	222.07	Calculated Property
η	0.0009822	Pa×s	250.08	Calculated Property
η	0.0006185	Pa×s	278.10	Calculated Property
η	0.0004239	Pa×s	306.12	Calculated Property
η	0.0003095	Pa×s	334.14	Calculated Property
η	0.0002372	Pa×s	362.15	Calculated Property
η	0.0001889	Pa×s	390.17	Calculated Property
η	0.0001551	Pa×s	418.19	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Octadiene, 4-methyl-.

Sources

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

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