Chemical Properties of 2,4,5,7-Tetramethyl-4,5-bis(4-tert-butylphenyl)octane (CAS 85668-75-3)

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

434.74

CAS

85668-75-3

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-19301.50 ± 4.80	kJ/mol	NIST
ΔfG°	430.60	kJ/mol	Joback Calculated Property
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°	86.74	kJ/mol	Joback Calculated Property
log10WS	-9.57		Crippen 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	981.08	K	Joback Calculated Property
Tc	1214.00	K	Joback Calculated Property
Tfus	507.96	K	Joback Calculated Property
Vc	1.556	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1423.01; 1547.09]	J/mol×K	[981.08; 1214.00]
Cp,gas	1423.01	J/mol×K	981.08	Joback Calculated Property
Cp,gas	1445.39	J/mol×K	1019.90	Joback Calculated Property
Cp,gas	1466.78	J/mol×K	1058.72	Joback Calculated Property
Cp,gas	1487.41	J/mol×K	1097.54	Joback Calculated Property
Cp,gas	1507.53	J/mol×K	1136.36	Joback Calculated Property
Cp,gas	1527.34	J/mol×K	1175.18	Joback Calculated Property
Cp,gas	1547.09	J/mol×K	1214.00	Joback Calculated Property
Cp,solid	683.90	J/mol×K	298.00	NIST
η	[0.0000055; 0.0003343]	Pa×s	[507.96; 981.08]
η	0.0003343	Pa×s	507.96	Joback Calculated Property
η	0.0001065	Pa×s	586.81	Joback Calculated Property
η	0.0000445	Pa×s	665.67	Joback Calculated Property
η	0.0000223	Pa×s	744.52	Joback Calculated Property
η	0.0000128	Pa×s	823.37	Joback Calculated Property
η	0.0000081	Pa×s	902.23	Joback Calculated Property
η	0.0000055	Pa×s	981.08	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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