Chemical Properties of 2,4,5,7-Tetramethyl-4,5-bis(4-tert-butylphenyl)octane

InChI

InChI=1S/C32H50/c1-23(2)21-31(11,27-17-13-25(14-18-27)29(5,6)7)32(12,22-24(3)4)28-19-15-26(16-20-28)30(8,9)10/h13-20,23-24H,21-22H2,1-12H3

InChI Key

MFHJPQMOWKNBEO-UHFFFAOYSA-N

Formula

C32H50

SMILES

CC(C)CC(C)(c1ccc(C(C)(C)C)cc1)C(C)(CC(C)C)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

434.75

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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	0.7319		Relay (1.0) Calculated Property
ΔcH°solid	-19301.50 ± 4.80	kJ/mol	NIST
ΔfH°gas	-254.00 ± 5.40	kJ/mol	NIST
ΔfH°solid	-436.60 ± 4.80	kJ/mol	NIST
ΔfusH°	29.24	kJ/mol	Joback Calculated Property
ΔsubH°	[182.60; 183.00]	kJ/mol
ΔsubH°	183.00	kJ/mol	NIST
ΔsubH°	182.60	kJ/mol	NIST
ΔvapH°	115.94	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-9.77		Relay (1.0) Calculated Property
logPoct/wat	9.589		Crippen Calculated Property
McVol	414.220	ml/mol	McGowan Calculated Property
Pc	786.39	kPa	Joback Calculated Property
Tboil	677.87	K	Relay (1.0) Calculated Property
Tc	936.18	K	Relay (1.0) Calculated Property
Tfus	395.26	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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.44; 1434.05]	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			-1.66668e+02
Coefficient B			3.28224e+00
Coefficient C			-2.33892e-03
Coefficient D			6.57400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	568.44	J/mol×K	273.00	Calculated Property
Cp,gas	730.89	J/mol×K	353.78	Calculated Property
Cp,gas	871.92	J/mol×K	434.56	Calculated Property
Cp,gas	993.61	J/mol×K	515.33	Calculated Property
Cp,gas	1098.04	J/mol×K	596.11	Calculated Property
Cp,gas	1187.28	J/mol×K	676.89	Calculated Property
Cp,gas	1263.43	J/mol×K	757.67	Calculated Property
Cp,gas	1328.56	J/mol×K	838.44	Calculated Property
Cp,gas	1384.74	J/mol×K	919.22	Calculated Property
Cp,gas	1434.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003343; 0.0000109]	Pa×s	[507.96; 849.97]	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			-1.65192e+01
Coefficient B			4.32568e+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.			507.96
Temperature range, max.			849.97
η	0.0003343	Pa×s	507.96	Calculated Property
η	0.0001848	Pa×s	545.96	Calculated Property
η	0.0001104	Pa×s	583.96	Calculated Property
η	0.0000702	Pa×s	621.96	Calculated Property
η	0.0000470	Pa×s	659.97	Calculated Property
η	0.0000329	Pa×s	697.97	Calculated Property
η	0.0000239	Pa×s	735.97	Calculated Property
η	0.0000179	Pa×s	773.97	Calculated Property
η	0.0000138	Pa×s	811.97	Calculated Property
η	0.0000109	Pa×s	849.97	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5,7-Tetramethyl-4,5-bis(4-tert-butylphenyl)octane.

Sources

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

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