Chemical Properties of 4,5-Diethyl-4,5-bis-(4-tert-butylphenyl)-octane (CAS 85668-73-1)

InChI

InChI=1S/C32H50/c1-11-23-31(13-3,27-19-15-25(16-20-27)29(5,6)7)32(14-4,24-12-2)28-21-17-26(18-22-28)30(8,9)10/h15-22H,11-14,23-24H2,1-10H3

InChI Key

DTOQQIZHGNEYCR-UHFFFAOYSA-N

Formula

C32H50

SMILES

CCCC(CC)(c1ccc(C(C)(C)C)cc1)C(CC)(CCC)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

434.74

CAS

85668-73-1

• 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
ΔcH°solid	-19331.30 ± 3.50	kJ/mol	NIST
ΔfH°gas	-224.00 ± 4.60	kJ/mol	NIST
ΔfH°solid	-406.80 ± 3.50	kJ/mol	NIST
ΔfusH°	36.28	kJ/mol	Joback Calculated Property
ΔsubH°	[182.00; 182.80]	kJ/mol
ΔsubH°	182.00	kJ/mol	NIST
ΔsubH°	182.80	kJ/mol	NIST
ΔvapH°	116.02	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
log10WS	-9.71		Relay (1.0) Calculated Property
logPoct/wat	9.878		Crippen Calculated Property
McVol	414.220	ml/mol	McGowan Calculated Property
Pc	779.38	kPa	Joback Calculated Property
Tboil	684.02	K	Relay (1.0) Calculated Property
Tc	937.98	K	Relay (1.0) Calculated Property
Tfus	404.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[569.07; 1432.98]	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			-1.63304e+02
Coefficient B			3.27040e+00
Coefficient C			-2.33252e-03
Coefficient D			6.58400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	569.07	J/mol×K	273.00	Calculated Property
Cp,gas	730.91	J/mol×K	353.78	Calculated Property
Cp,gas	871.43	J/mol×K	434.56	Calculated Property
Cp,gas	992.70	J/mol×K	515.33	Calculated Property
Cp,gas	1096.83	J/mol×K	596.11	Calculated Property
Cp,gas	1185.88	J/mol×K	676.89	Calculated Property
Cp,gas	1261.93	J/mol×K	757.67	Calculated Property
Cp,gas	1327.08	J/mol×K	838.44	Calculated Property
Cp,gas	1383.40	J/mol×K	919.22	Calculated Property
Cp,gas	1432.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002362; 0.0000131]	Pa×s	[537.96; 848.11]	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			-1.62512e+01
Coefficient B			4.25004e+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.			537.96
Temperature range, max.			848.11
η	0.0002362	Pa×s	537.96	Calculated Property
η	0.0001468	Pa×s	572.42	Calculated Property
η	0.0000963	Pa×s	606.88	Calculated Property
η	0.0000661	Pa×s	641.34	Calculated Property
η	0.0000471	Pa×s	675.80	Calculated Property
η	0.0000347	Pa×s	710.26	Calculated Property
η	0.0000263	Pa×s	744.72	Calculated Property
η	0.0000205	Pa×s	779.18	Calculated Property
η	0.0000162	Pa×s	813.65	Calculated Property
η	0.0000131	Pa×s	848.11	Calculated Property

Similar Compounds

Find more compounds similar to 4,5-Diethyl-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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