Chemical Properties of Octane, 3,6-dimethyl-3,6-diphenyl (CAS 21411-35-8)

InChI

InChI=1S/C22H30/c1-5-21(3,19-13-9-7-10-14-19)17-18-22(4,6-2)20-15-11-8-12-16-20/h7-16H,5-6,17-18H2,1-4H3

InChI Key

KJSHBAGFGAQUBT-UHFFFAOYSA-N

Formula

C22H30

SMILES

CCC(C)(CCC(C)(CC)c1ccccc1)c1ccccc1

Molecular Weight¹

294.47

CAS

21411-35-8

Other Names

• Benzene, 1,1'-(1,4-diethyl-1,4-dimethyl-1,4-butanediyl)bis-

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[354.75; 920.21]	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			-1.33866e+02
Coefficient B			2.18768e+00
Coefficient C			-1.57900e-03
Coefficient D			4.45400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.75	J/mol×K	273.00	Calculated Property
Cp,gas	462.18	J/mol×K	353.78	Calculated Property
Cp,gas	555.18	J/mol×K	434.56	Calculated Property
Cp,gas	635.14	J/mol×K	515.33	Calculated Property
Cp,gas	703.49	J/mol×K	596.11	Calculated Property
Cp,gas	761.62	J/mol×K	676.89	Calculated Property
Cp,gas	810.95	J/mol×K	757.67	Calculated Property
Cp,gas	852.89	J/mol×K	838.44	Calculated Property
Cp,gas	888.84	J/mol×K	919.22	Calculated Property
Cp,gas	920.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017285; 0.0000750]	Pa×s	[395.38; 685.69]	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			-1.37708e+01
Coefficient B			2.92988e+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.			395.38
Temperature range, max.			685.69
η	0.0017285	Pa×s	395.38	Calculated Property
η	0.0009884	Pa×s	427.64	Calculated Property
η	0.0006112	Pa×s	459.89	Calculated Property
η	0.0004026	Pa×s	492.15	Calculated Property
η	0.0002791	Pa×s	524.41	Calculated Property
η	0.0002019	Pa×s	556.67	Calculated Property
η	0.0001514	Pa×s	588.92	Calculated Property
η	0.0001169	Pa×s	621.18	Calculated Property
η	0.0000926	Pa×s	653.44	Calculated Property
η	0.0000750	Pa×s	685.69	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 3,6-dimethyl-3,6-diphenyl.

Sources

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

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