Chemical Properties of 1,3-Cyclohexadiene, 1-methyl-4-(6-methyl-4-heptenyl)

InChI

InChI=1S/C15H24/c1-13(2)7-5-4-6-8-15-11-9-14(3)10-12-15/h5,7,9,11,13H,4,6,8,10,12H2,1-3H3/b7-5-

InChI Key

OTJVAZVIERDNRF-FNORWQNLSA-N

Formula

C15H24

SMILES

CC1=CC=C(CCC/C=C/C(C)C)CC1

Molecular Weight¹

204.36

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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	[261.14; 672.88]	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			-5.39970e+01
Coefficient B			1.37236e+00
Coefficient C			-8.56080e-04
Coefficient D			2.10600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.14	J/mol×K	273.00	Calculated Property
Cp,gas	333.69	J/mol×K	353.78	Calculated Property
Cp,gas	397.99	J/mol×K	434.56	Calculated Property
Cp,gas	454.70	J/mol×K	515.33	Calculated Property
Cp,gas	504.49	J/mol×K	596.11	Calculated Property
Cp,gas	548.02	J/mol×K	676.89	Calculated Property
Cp,gas	585.95	J/mol×K	757.67	Calculated Property
Cp,gas	618.97	J/mol×K	838.44	Calculated Property
Cp,gas	647.72	J/mol×K	919.22	Calculated Property
Cp,gas	672.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038669; 0.0001517]	Pa×s	[276.91; 547.38]	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			-1.21091e+01
Coefficient B			1.81482e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			276.91
Temperature range, max.			547.38
η	0.0038669	Pa×s	276.91	Calculated Property
η	0.0020357	Pa×s	306.96	Calculated Property
η	0.0012016	Pa×s	337.01	Calculated Property
η	0.0007732	Pa×s	367.07	Calculated Property
η	0.0005318	Pa×s	397.12	Calculated Property
η	0.0003856	Pa×s	427.17	Calculated Property
η	0.0002917	Pa×s	457.22	Calculated Property
η	0.0002283	Pa×s	487.27	Calculated Property
η	0.0001839	Pa×s	517.33	Calculated Property
η	0.0001517	Pa×s	547.38	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclohexadiene, 1-methyl-4-(6-methyl-4-heptenyl).

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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