Chemical Properties of Benzene, 1,3-bis(2,2-dimethylpropyl)-2,4,5,6-tetramethyl- (CAS 33781-73-6)

InChI

InChI=1S/C20H34/c1-13-14(2)17(11-19(5,6)7)16(4)18(15(13)3)12-20(8,9)10/h11-12H2,1-10H3

InChI Key

NSSMYFQUYITACG-UHFFFAOYSA-N

Formula

C20H34

SMILES

Cc1c(C)c(CC(C)(C)C)c(C)c(CC(C)(C)C)c1C

Molecular Weight¹

274.48

CAS

33781-73-6

Other Names

• 1,2,3,5-Tetramethyl-4,6-di(2,2-dimethylpropyl)benzene
• Benzene, 1,2,3,5-tetramethyl-4,6-dineopentyl-
• Dineopentylisodurene

• 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	[382.33; 920.35]	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			-2.66480e+01
Coefficient B			1.77920e+00
Coefficient C			-1.10380e-03
Coefficient D			2.71600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.33	J/mol×K	273.00	Calculated Property
Cp,gas	476.67	J/mol×K	353.78	Calculated Property
Cp,gas	560.36	J/mol×K	434.56	Calculated Property
Cp,gas	634.27	J/mol×K	515.33	Calculated Property
Cp,gas	699.25	J/mol×K	596.11	Calculated Property
Cp,gas	756.17	J/mol×K	676.89	Calculated Property
Cp,gas	805.88	J/mol×K	757.67	Calculated Property
Cp,gas	849.24	J/mol×K	838.44	Calculated Property
Cp,gas	887.11	J/mol×K	919.22	Calculated Property
Cp,gas	920.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008295; 0.0000986]	Pa×s	[409.02; 634.37]	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			-1.30891e+01
Coefficient B			2.45184e+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.			409.02
Temperature range, max.			634.37
η	0.0008295	Pa×s	409.02	Calculated Property
η	0.0005870	Pa×s	434.06	Calculated Property
η	0.0004314	Pa×s	459.10	Calculated Property
η	0.0003273	Pa×s	484.14	Calculated Property
η	0.0002551	Pa×s	509.17	Calculated Property
η	0.0002036	Pa×s	534.21	Calculated Property
η	0.0001658	Pa×s	559.25	Calculated Property
η	0.0001374	Pa×s	584.29	Calculated Property
η	0.0001156	Pa×s	609.33	Calculated Property
η	0.0000986	Pa×s	634.37	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-bis(2,2-dimethylpropyl)-2,4,5,6-tetramethyl-.

Sources

• 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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