Chemical Properties of 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane (CAS 85668-76-4)

InChI

InChI=1S/C38H62/c1-11-15-27-37(28-16-12-2,33-23-19-31(20-24-33)35(5,6)7)38(29-17-13-3,30-18-14-4)34-25-21-32(22-26-34)36(8,9)10/h19-26H,11-18,27-30H2,1-10H3

InChI Key

DMHYTJAITPRFFD-UHFFFAOYSA-N

Formula

C38H62

SMILES

CCCCC(CCCC)(c1ccc(C(C)(C)C)cc1)C(CCCC)(CCCC)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

518.90

CAS

85668-76-4

• 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_fusH : Enthalpy of fusion at a given temperature (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	-23242.70 ± 2.20	kJ/mol	NIST
ΔfG°	486.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-571.30 ± 2.20	kJ/mol	NIST
ΔfusH°	51.82	kJ/mol	Joback Calculated Property
ΔsubH°	[220.30; 221.00]	kJ/mol
ΔsubH°	221.00	kJ/mol	NIST
ΔsubH°	220.30	kJ/mol	NIST
ΔvapH°	100.87	kJ/mol	Joback Calculated Property
log10WS	-12.56		Crippen Calculated Property
logPoct/wat	12.218		Crippen Calculated Property
McVol	498.760	ml/mol	McGowan Calculated Property
Pc	578.40	kPa	Joback Calculated Property
Tboil	1119.24	K	Joback Calculated Property
Tc	1372.31	K	Joback Calculated Property
Tfus	385.00 ± 1.00	K	NIST
Vc	1.903	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1821.98; 1980.17]	J/mol×K	[1119.24; 1372.31]
Cp,gas	1821.98	J/mol×K	1119.24	Joback Calculated Property
Cp,gas	1848.28	J/mol×K	1161.42	Joback Calculated Property
Cp,gas	1874.17	J/mol×K	1203.60	Joback Calculated Property
Cp,gas	1899.98	J/mol×K	1245.78	Joback Calculated Property
Cp,gas	1926.03	J/mol×K	1287.95	Joback Calculated Property
Cp,gas	1952.65	J/mol×K	1330.13	Joback Calculated Property
Cp,gas	1980.17	J/mol×K	1372.31	Joback Calculated Property
Cp,solid	805.50	J/mol×K	298.00	NIST
η	[0.0000023; 0.0000899]	Pa×s	[605.58; 1119.24]
η	0.0000899	Pa×s	605.58	Joback Calculated Property
η	0.0000336	Pa×s	691.19	Joback Calculated Property
η	0.0000156	Pa×s	776.80	Joback Calculated Property
η	0.0000084	Pa×s	862.41	Joback Calculated Property
η	0.0000051	Pa×s	948.02	Joback Calculated Property
η	0.0000033	Pa×s	1033.63	Joback Calculated Property
η	0.0000023	Pa×s	1119.24	Joback Calculated Property
ΔfusH	43.10	kJ/mol	386.00	NIST

Similar Compounds

Find more compounds similar to 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane.

Sources

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

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