Chemical Properties of 2,4-Bis(dimethylbenzyl)-6-t-butylphenol (CAS 244080-16-8)

InChI

InChI=1S/C28H34O/c1-26(2,3)23-18-22(27(4,5)20-14-10-8-11-15-20)19-24(25(23)29)28(6,7)21-16-12-9-13-17-21/h8-19,29H,1-7H3

InChI Key

QIJHCZVVJYQNJA-UHFFFAOYSA-N

Formula

C28H34O

SMILES

CC(C)(C)c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1O

Molecular Weight¹

386.57

CAS

244080-16-8

Other Names

• 2-(Tert-butyl)-4,6-bis(2-phenylpropan-2-yl)phenol

• ω : Acentric Factor.
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7775		Relay (1.0) Calculated Property
ΔfH°gas	-92.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.16	kJ/mol	Joback Calculated Property
ΔvapH°	137.59	kJ/mol	Relay (1.0) Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	-7.35		Relay (1.0) Calculated Property
logPoct/wat	7.341		Crippen Calculated Property
McVol	339.970	ml/mol	McGowan Calculated Property
Pc	1334.91	kPa	Joback Calculated Property
Inp	[2547.30; 2547.30]
Inp	2547.30		NIST
Inp	2547.30		NIST
Tboil	653.52	K	Relay (1.0) Calculated Property
Tc	1011.08	K	Relay (1.0) Calculated Property
Tfus	399.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[445.31; 1129.04]	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			-1.78020e+02
Coefficient B			2.84024e+00
Coefficient C			-2.23068e-03
Coefficient D			6.97500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	445.31	J/mol×K	273.00	Calculated Property
Cp,gas	578.49	J/mol×K	353.78	Calculated Property
Cp,gas	692.22	J/mol×K	434.56	Calculated Property
Cp,gas	788.71	J/mol×K	515.33	Calculated Property
Cp,gas	870.16	J/mol×K	596.11	Calculated Property
Cp,gas	938.78	J/mol×K	676.89	Calculated Property
Cp,gas	996.77	J/mol×K	757.67	Calculated Property
Cp,gas	1046.34	J/mol×K	838.44	Calculated Property
Cp,gas	1089.69	J/mol×K	919.22	Calculated Property
Cp,gas	1129.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000205; 0.0000012]	Pa×s	[628.60; 884.17]	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			-2.06227e+01
Coefficient B			6.17906e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			628.60
Temperature range, max.			884.17
η	0.0000205	Pa×s	628.60	Calculated Property
η	0.0000134	Pa×s	657.00	Calculated Property
η	0.0000091	Pa×s	685.39	Calculated Property
η	0.0000064	Pa×s	713.79	Calculated Property
η	0.0000046	Pa×s	742.19	Calculated Property
η	0.0000034	Pa×s	770.59	Calculated Property
η	0.0000025	Pa×s	798.98	Calculated Property
η	0.0000019	Pa×s	827.38	Calculated Property
η	0.0000015	Pa×s	855.78	Calculated Property
η	0.0000012	Pa×s	884.17	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Bis(dimethylbenzyl)-6-t-butylphenol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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