Chemical Properties of Phenanthrene, 3,9-bis(1,1-dimethylethyl)-

InChI

InChI=1S/C22H26/c1-21(2,3)16-12-11-15-13-20(22(4,5)6)18-10-8-7-9-17(18)19(15)14-16/h7-14H,1-6H3

InChI Key

UENRPNPQJZVMPN-UHFFFAOYSA-N

Formula

C22H26

SMILES

CC(C)(C)c1ccc2cc(C(C)(C)C)c3ccccc3c2c1

Molecular Weight¹

290.45

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, 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	[337.66; 848.05]	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			-1.19950e+02
Coefficient B			2.08072e+00
Coefficient C			-1.62012e-03
Coefficient D			5.07400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.66	J/mol×K	273.00	Calculated Property
Cp,gas	435.86	J/mol×K	353.78	Calculated Property
Cp,gas	519.94	J/mol×K	434.56	Calculated Property
Cp,gas	591.50	J/mol×K	515.33	Calculated Property
Cp,gas	652.16	J/mol×K	596.11	Calculated Property
Cp,gas	703.52	J/mol×K	676.89	Calculated Property
Cp,gas	747.19	J/mol×K	757.67	Calculated Property
Cp,gas	784.76	J/mol×K	838.44	Calculated Property
Cp,gas	817.85	J/mol×K	919.22	Calculated Property
Cp,gas	848.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010875; 0.0002339]	Pa×s	[471.92; 712.49]	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			-1.13746e+01
Coefficient B			2.14756e+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.			471.92
Temperature range, max.			712.49
η	0.0010875	Pa×s	471.92	Calculated Property
η	0.0008521	Pa×s	498.65	Calculated Property
η	0.0006844	Pa×s	525.38	Calculated Property
η	0.0005615	Pa×s	552.11	Calculated Property
η	0.0004692	Pa×s	578.84	Calculated Property
η	0.0003983	Pa×s	605.57	Calculated Property
η	0.0003429	Pa×s	632.30	Calculated Property
η	0.0002987	Pa×s	659.03	Calculated Property
η	0.0002631	Pa×s	685.76	Calculated Property
η	0.0002339	Pa×s	712.49	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 3,9-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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