Chemical Properties of 1,3-CYCLOHEXADIENE, 5,6-DIMETHYL-

InChI

InChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-8H,1-2H3

InChI Key

CJSMAFKHKCZRCX-UHFFFAOYSA-N

Formula

C8H12

SMILES

CC1C=CC=CC1C

Molecular Weight¹

108.18

• 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).
• 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, 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	[126.39; 361.19]	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			-4.84900e+01
Coefficient B			7.47440e-01
Coefficient C			-4.11560e-04
Coefficient D			7.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.39	J/mol×K	273.00	Calculated Property
Cp,gas	167.70	J/mol×K	353.78	Calculated Property
Cp,gas	204.65	J/mol×K	434.56	Calculated Property
Cp,gas	237.49	J/mol×K	515.33	Calculated Property
Cp,gas	266.45	J/mol×K	596.11	Calculated Property
Cp,gas	291.76	J/mol×K	676.89	Calculated Property
Cp,gas	313.66	J/mol×K	757.67	Calculated Property
Cp,gas	332.37	J/mol×K	838.44	Calculated Property
Cp,gas	348.14	J/mol×K	919.22	Calculated Property
Cp,gas	361.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020183; 0.0002074]	Pa×s	[184.58; 420.39]	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			-1.02622e+01
Coefficient B			7.48780e+02
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.			184.58
Temperature range, max.			420.39
η	0.0020183	Pa×s	184.58	Calculated Property
η	0.0012190	Pa×s	210.78	Calculated Property
η	0.0008230	Pa×s	236.98	Calculated Property
η	0.0006009	Pa×s	263.18	Calculated Property
η	0.0004644	Pa×s	289.39	Calculated Property
η	0.0003747	Pa×s	315.59	Calculated Property
η	0.0003123	Pa×s	341.79	Calculated Property
η	0.0002672	Pa×s	367.99	Calculated Property
η	0.0002334	Pa×s	394.19	Calculated Property
η	0.0002074	Pa×s	420.39	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-CYCLOHEXADIENE, 5,6-DIMETHYL-.

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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