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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[817.66; 918.41]	J/mol×K	[837.90; 1081.18]
Cp,gas	817.66	J/mol×K	837.90	Joback Calculated Property
Cp,gas	835.32	J/mol×K	878.45	Joback Calculated Property
Cp,gas	852.29	J/mol×K	918.99	Joback Calculated Property
Cp,gas	868.82	J/mol×K	959.54	Joback Calculated Property
Cp,gas	885.19	J/mol×K	1000.09	Joback Calculated Property
Cp,gas	901.63	J/mol×K	1040.63	Joback Calculated Property
Cp,gas	918.41	J/mol×K	1081.18	Joback Calculated Property
η	[0.0005561; 0.0016000]	Pa×s	[545.96; 837.90]
η	0.0016000	Pa×s	545.96	Joback Calculated Property
η	0.0012483	Pa×s	594.62	Joback Calculated Property
η	0.0010112	Pa×s	643.27	Joback Calculated Property
η	0.0008437	Pa×s	691.93	Joback Calculated Property
η	0.0007210	Pa×s	740.59	Joback Calculated Property
η	0.0006281	Pa×s	789.24	Joback Calculated Property
η	0.0005561	Pa×s	837.90	Joback 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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