Chemical Properties of 2,6-BIS-(1,1-DIMETHYL-PROPYL)-4-METHYL-PHENOL

InChI

InChI=1S/C17H28O/c1-8-16(4,5)13-10-12(3)11-14(15(13)18)17(6,7)9-2/h10-11,18H,8-9H2,1-7H3

InChI Key

SOASHAVJCWKTKL-UHFFFAOYSA-N

Formula

C17H28O

SMILES

CCC(C)(C)c1cc(C)cc(C(C)(C)CC)c1O

Molecular Weight¹

248.41

Other Names

• 2,6-Di-tert-amyl-4-cresol
• 4-Methyl-2,6-di-tert-pentylphenol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.93; 797.12]	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			-7.57380e+01
Coefficient B			1.82724e+00
Coefficient C			-1.39808e-03
Coefficient D			4.43700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	327.93	J/mol×K	273.00	Calculated Property
Cp,gas	415.36	J/mol×K	353.78	Calculated Property
Cp,gas	490.70	J/mol×K	434.56	Calculated Property
Cp,gas	555.34	J/mol×K	515.33	Calculated Property
Cp,gas	610.68	J/mol×K	596.11	Calculated Property
Cp,gas	658.14	J/mol×K	676.89	Calculated Property
Cp,gas	699.11	J/mol×K	757.67	Calculated Property
Cp,gas	734.99	J/mol×K	838.44	Calculated Property
Cp,gas	767.19	J/mol×K	919.22	Calculated Property
Cp,gas	797.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004047; 0.0000159]	Pa×s	[449.37; 642.81]	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			-1.85739e+01
Coefficient B			4.83592e+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.			449.37
Temperature range, max.			642.81
η	0.0004047	Pa×s	449.37	Calculated Property
η	0.0002476	Pa×s	470.86	Calculated Property
η	0.0001582	Pa×s	492.36	Calculated Property
η	0.0001049	Pa×s	513.85	Calculated Property
η	0.0000719	Pa×s	535.34	Calculated Property
η	0.0000507	Pa×s	556.84	Calculated Property
η	0.0000367	Pa×s	578.33	Calculated Property
η	0.0000272	Pa×s	599.82	Calculated Property
η	0.0000206	Pa×s	621.32	Calculated Property
η	0.0000159	Pa×s	642.81	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-BIS-(1,1-DIMETHYL-PROPYL)-4-METHYL-PHENOL.

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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