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

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

518.91

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0091		Relay (1.0) Calculated Property
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
ΔsubH°	221.00	kJ/mol	NIST
ΔsubH°	220.30	kJ/mol	NIST
ΔvapH°	131.22	kJ/mol	Relay (1.0) Calculated Property
IE	7.75	eV	Relay (1.0) Calculated Property
log10WS	-11.36		Relay (1.0) 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	727.11	K	Relay (1.0) Calculated Property
Tc	972.76	K	Relay (1.0) Calculated Property
Tfus	[385.00; 385.00]	K
Tfus	385.00 ± 1.00	K	NIST
Tfus	385.00 ± 1.00	K	NIST
Vc	1.828	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	805.50	J/mol×K	298.00	NIST
ΔfusH	[43.10; 43.10]	kJ/mol	[386.00; 386.00]
ΔfusH	43.10	kJ/mol	386.00	NIST
ΔfusH	43.10	kJ/mol	386.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[696.35; 1742.52]	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			-1.68758e+02
Coefficient B			3.84040e+00
Coefficient C			-2.65892e-03
Coefficient D			7.29800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	696.35	J/mol×K	273.00	Calculated Property
Cp,gas	889.42	J/mol×K	353.78	Calculated Property
Cp,gas	1057.89	J/mol×K	434.56	Calculated Property
Cp,gas	1204.08	J/mol×K	515.33	Calculated Property
Cp,gas	1330.30	J/mol×K	596.11	Calculated Property
Cp,gas	1438.84	J/mol×K	676.89	Calculated Property
Cp,gas	1532.03	J/mol×K	757.67	Calculated Property
Cp,gas	1612.17	J/mol×K	838.44	Calculated Property
Cp,gas	1681.56	J/mol×K	919.22	Calculated Property
Cp,gas	1742.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085505; 0.0000048]	Pa×s	[385.00; 960.79]	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			-1.72683e+01
Coefficient B			4.81500e+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.			385.00
Temperature range, max.			960.79
η	0.0085505	Pa×s	385.00	Calculated Property
η	0.0014389	Pa×s	448.98	Calculated Property
η	0.0003777	Pa×s	512.95	Calculated Property
η	0.0001334	Pa×s	576.93	Calculated Property
η	0.0000580	Pa×s	640.91	Calculated Property
η	0.0000293	Pa×s	704.88	Calculated Property
η	0.0000166	Pa×s	768.86	Calculated Property
η	0.0000103	Pa×s	832.84	Calculated Property
η	0.0000068	Pa×s	896.81	Calculated Property
η	0.0000048	Pa×s	960.79	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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