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_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	-19331.30 ± 3.50	kJ/mol	NIST
ΔfG°	435.48	kJ/mol	Joback Calculated Property
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°	87.52	kJ/mol	Joback Calculated Property
log10WS	-10.05		Crippen 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	981.96	K	Joback Calculated Property
Tc	1211.33	K	Joback Calculated Property
Tfus	537.96	K	Joback Calculated Property
Vc	1.567	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1422.38; 1545.92]	J/mol×K	[981.96; 1211.33]
Cp,gas	1422.38	J/mol×K	981.96	Joback Calculated Property
Cp,gas	1444.56	J/mol×K	1020.19	Joback Calculated Property
Cp,gas	1465.80	J/mol×K	1058.42	Joback Calculated Property
Cp,gas	1486.34	J/mol×K	1096.65	Joback Calculated Property
Cp,gas	1506.39	J/mol×K	1134.88	Joback Calculated Property
Cp,gas	1526.18	J/mol×K	1173.10	Joback Calculated Property
Cp,gas	1545.92	J/mol×K	1211.33	Joback Calculated Property
Cp,solid	618.50	J/mol×K	298.00	NIST
η	[0.0000066; 0.0002362]	Pa×s	[537.96; 981.96]
η	0.0002362	Pa×s	537.96	Joback Calculated Property
η	0.0000909	Pa×s	611.96	Joback Calculated Property
η	0.0000430	Pa×s	685.96	Joback Calculated Property
η	0.0000235	Pa×s	759.96	Joback Calculated Property
η	0.0000143	Pa×s	833.96	Joback Calculated Property
η	0.0000094	Pa×s	907.96	Joback Calculated Property
η	0.0000066	Pa×s	981.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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