Chemical Properties of 1,5-Dimethyl-1,4-cyclohexadiene (CAS 4190-06-1)

InChI

InChI=1S/C8H12/c1-7-4-3-5-8(2)6-7/h4-5H,3,6H2,1-2H3

InChI Key

TYMUFQXLPNZKGZ-UHFFFAOYSA-N

Formula

C8H12

SMILES

CC1=CCC=C(C)C1

Molecular Weight¹

108.18

CAS

4190-06-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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 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	[126.96; 341.79]	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			-3.17700e+01
Coefficient B			6.81440e-01
Coefficient C			-3.88280e-04
Coefficient D			8.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.96	J/mol×K	273.00	Calculated Property
Cp,gas	164.27	J/mol×K	353.78	Calculated Property
Cp,gas	197.63	J/mol×K	434.56	Calculated Property
Cp,gas	227.29	J/mol×K	515.33	Calculated Property
Cp,gas	253.50	J/mol×K	596.11	Calculated Property
Cp,gas	276.52	J/mol×K	676.89	Calculated Property
Cp,gas	296.61	J/mol×K	757.67	Calculated Property
Cp,gas	314.01	J/mol×K	838.44	Calculated Property
Cp,gas	328.99	J/mol×K	919.22	Calculated Property
Cp,gas	341.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027458; 0.0001997]	Pa×s	[218.10; 436.82]	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			-1.11322e+01
Coefficient B			1.14164e+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.			218.10
Temperature range, max.			436.82
η	0.0027458	Pa×s	218.10	Calculated Property
η	0.0016246	Pa×s	242.40	Calculated Property
η	0.0010577	Pa×s	266.71	Calculated Property
η	0.0007398	Pa×s	291.01	Calculated Property
η	0.0005468	Pa×s	315.31	Calculated Property
η	0.0004220	Pa×s	339.61	Calculated Property
η	0.0003371	Pa×s	363.92	Calculated Property
η	0.0002770	Pa×s	388.22	Calculated Property
η	0.0002329	Pa×s	412.52	Calculated Property
η	0.0001997	Pa×s	436.82	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Dimethyl-1,4-cyclohexadiene.

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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