Chemical Properties of Di-cyclohexadiene (CAS 2808-38-0)

InChI

InChI=1S/C12H16/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1,3,5,7,9-12H,2,4,6,8H2

InChI Key

OPOFYMSEXICFOW-UHFFFAOYSA-N

Formula

C12H16

SMILES

C1=CC2C3C=CC(CC3)C2CC1

Molecular Weight¹

160.26

CAS

2808-38-0

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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	[164.36; 527.03]	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			-1.52610e+02
Coefficient B			1.42920e+00
Coefficient C			-1.06956e-03
Coefficient D			3.20000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.36	J/mol×K	273.00	Calculated Property
Cp,gas	233.31	J/mol×K	353.78	Calculated Property
Cp,gas	292.74	J/mol×K	434.56	Calculated Property
Cp,gas	343.66	J/mol×K	515.33	Calculated Property
Cp,gas	387.07	J/mol×K	596.11	Calculated Property
Cp,gas	423.99	J/mol×K	676.89	Calculated Property
Cp,gas	455.44	J/mol×K	757.67	Calculated Property
Cp,gas	482.42	J/mol×K	838.44	Calculated Property
Cp,gas	505.95	J/mol×K	919.22	Calculated Property
Cp,gas	527.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011498; 0.0009706]	Pa×s	[265.54; 510.65]	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			-7.12120e+00
Coefficient B			9.37400e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			265.54
Temperature range, max.			510.65
η	0.0011498	Pa×s	265.54	Calculated Property
η	0.0011126	Pa×s	292.77	Calculated Property
η	0.0010827	Pa×s	320.01	Calculated Property
η	0.0010581	Pa×s	347.24	Calculated Property
η	0.0010376	Pa×s	374.48	Calculated Property
η	0.0010201	Pa×s	401.71	Calculated Property
η	0.0010051	Pa×s	428.94	Calculated Property
η	0.0009921	Pa×s	456.18	Calculated Property
η	0.0009807	Pa×s	483.41	Calculated Property
η	0.0009706	Pa×s	510.65	Calculated Property

Similar Compounds

Find more compounds similar to Di-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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