Chemical Properties of Pyrene, 1,6-bis(1,1-dimethylethyl)-

InChI

InChI=1S/C24H26/c1-23(2,3)19-13-9-15-8-12-18-20(24(4,5)6)14-10-16-7-11-17(19)21(15)22(16)18/h7-14H,1-6H3

InChI Key

OJKOMTHSAKFOHL-UHFFFAOYSA-N

Formula

C24H26

SMILES

CC(C)(C)c1ccc2ccc3c(C(C)(C)C)ccc4ccc1c2c43

Molecular Weight¹

314.47

Other Names

• 1,6-Di-tert-butylpyrene

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[357.90; 885.15]	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			-1.36450e+02
Coefficient B			2.28272e+00
Coefficient C			-1.90412e-03
Coefficient D			6.43000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	357.90	J/mol×K	273.00	Calculated Property
Cp,gas	461.28	J/mol×K	353.78	Calculated Property
Cp,gas	548.71	J/mol×K	434.56	Calculated Property
Cp,gas	622.24	J/mol×K	515.33	Calculated Property
Cp,gas	683.88	J/mol×K	596.11	Calculated Property
Cp,gas	735.69	J/mol×K	676.89	Calculated Property
Cp,gas	779.68	J/mol×K	757.67	Calculated Property
Cp,gas	817.90	J/mol×K	838.44	Calculated Property
Cp,gas	852.38	J/mol×K	919.22	Calculated Property
Cp,gas	885.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016000; 0.0006868]	Pa×s	[545.96; 757.01]	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			-9.47110e+00
Coefficient B			1.65608e+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.			545.96
Temperature range, max.			757.01
η	0.0016000	Pa×s	545.96	Calculated Property
η	0.0014121	Pa×s	569.41	Calculated Property
η	0.0012586	Pa×s	592.86	Calculated Property
η	0.0011317	Pa×s	616.31	Calculated Property
η	0.0010256	Pa×s	639.76	Calculated Property
η	0.0009359	Pa×s	663.21	Calculated Property
η	0.0008594	Pa×s	686.66	Calculated Property
η	0.0007936	Pa×s	710.11	Calculated Property
η	0.0007366	Pa×s	733.56	Calculated Property
η	0.0006868	Pa×s	757.01	Calculated Property

Similar Compounds

Find more compounds similar to Pyrene, 1,6-bis(1,1-dimethylethyl)-.

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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