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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1422.50; 1546.05]	J/mol×K	[982.16; 1211.58]
Cp,gas	1422.50	J/mol×K	982.16	Joback Calculated Property
Cp,gas	1444.67	J/mol×K	1020.40	Joback Calculated Property
Cp,gas	1465.92	J/mol×K	1058.63	Joback Calculated Property
Cp,gas	1486.46	J/mol×K	1096.87	Joback Calculated Property
Cp,gas	1506.51	J/mol×K	1135.11	Joback Calculated Property
Cp,gas	1526.30	J/mol×K	1173.34	Joback Calculated Property
Cp,gas	1546.05	J/mol×K	1211.58	Joback Calculated Property
Cp,solid	618.50	J/mol×K	298.00	NIST
η	[0.0000066; 0.0002362]	Pa×s	[537.96; 982.16]
η	0.0002362	Pa×s	537.96	Joback Calculated Property
η	0.0000908	Pa×s	611.99	Joback Calculated Property
η	0.0000429	Pa×s	686.03	Joback Calculated Property
η	0.0000235	Pa×s	760.06	Joback Calculated Property
η	0.0000143	Pa×s	834.09	Joback Calculated Property
η	0.0000094	Pa×s	908.13	Joback Calculated Property
η	0.0000066	Pa×s	982.16	Joback 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

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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