Chemical Properties of 4,5-Dipropyl-4,5-bis-(4-tert-butylphenyl)octane (CAS 85668-72-0)

InChI

InChI=1S/C34H54/c1-11-23-33(24-12-2,29-19-15-27(16-20-29)31(5,6)7)34(25-13-3,26-14-4)30-21-17-28(18-22-30)32(8,9)10/h15-22H,11-14,23-26H2,1-10H3

InChI Key

JHALHDOCRWHJSQ-UHFFFAOYSA-N

Formula

C34H54

SMILES

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

Molecular Weight¹

462.79

CAS

85668-72-0

• 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	-20686.00 ± 6.10	kJ/mol	NIST
ΔfG°	452.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-213.00 ± 4.60	kJ/mol	NIST
ΔfH°solid	-411.00 ± 6.10	kJ/mol	NIST
ΔfusH°	41.46	kJ/mol	Joback Calculated Property
ΔsubH°	[198.00; 198.00]	kJ/mol
ΔsubH°	198.00	kJ/mol	NIST
ΔsubH°	198.00	kJ/mol	NIST
ΔvapH°	91.97	kJ/mol	Joback Calculated Property
log10WS	-10.89		Crippen Calculated Property
logPoct/wat	10.658		Crippen Calculated Property
McVol	442.400	ml/mol	McGowan Calculated Property
Pc	702.10	kPa	Joback Calculated Property
Tboil	1027.72	K	Joback Calculated Property
Tc	1260.77	K	Joback Calculated Property
Tfus	419.00 ± 1.00	K	NIST
Vc	1.679	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1553.18; 1684.23]	J/mol×K	[1027.72; 1260.77]
Cp,gas	1553.18	J/mol×K	1027.72	Joback Calculated Property
Cp,gas	1576.17	J/mol×K	1066.56	Joback Calculated Property
Cp,gas	1598.38	J/mol×K	1105.40	Joback Calculated Property
Cp,gas	1620.05	J/mol×K	1144.25	Joback Calculated Property
Cp,gas	1641.43	J/mol×K	1183.09	Joback Calculated Property
Cp,gas	1662.74	J/mol×K	1221.93	Joback Calculated Property
Cp,gas	1684.23	J/mol×K	1260.77	Joback Calculated Property
Cp,solid	[468.10; 724.20]	J/mol×K	[298.00; 393.00]
Cp,solid	724.20	J/mol×K	298.00	NIST
Cp,solid	468.10	J/mol×K	393.00	NIST
η	[0.0000047; 0.0001720]	Pa×s	[560.50; 1027.72]
η	0.0001720	Pa×s	560.50	Joback Calculated Property
η	0.0000655	Pa×s	638.37	Joback Calculated Property
η	0.0000307	Pa×s	716.24	Joback Calculated Property
η	0.0000167	Pa×s	794.11	Joback Calculated Property
η	0.0000102	Pa×s	871.98	Joback Calculated Property
η	0.0000067	Pa×s	949.85	Joback Calculated Property
η	0.0000047	Pa×s	1027.72	Joback Calculated Property
ΔfusH	[36.11; 40.58]	kJ/mol	[419.00; 452.00]
ΔfusH	40.58	kJ/mol	419.00	NIST
ΔfusH	36.11	kJ/mol	452.00	NIST
ΔfusS	79.90	J/mol×K	452.00	NIST

Similar Compounds

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

Sources

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

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