Chemical Properties of 3,4-Diethyl-3,4-bis(4-tert-butylphenyl)-hexane (CAS 85668-74-2)

InChI

InChI=1S/C30H46/c1-11-22(4)27(23-14-16-24(17-15-23)28(5,6)7)30(12-2,13-3)26-20-18-25(19-21-26)29(8,9)10/h14-22,27H,11-13H2,1-10H3

InChI Key

WNLBDFYTLIBLQU-UHFFFAOYSA-N

Formula

C30H46

SMILES

CCC(C)C(c1ccc(C(C)(C)C)cc1)C(CC)(CC)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

406.69

CAS

85668-74-2

• 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	-18041.60 ± 1.30	kJ/mol	NIST
ΔfG°	410.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-337.70 ± 1.30	kJ/mol	NIST
ΔfusH°	31.47	kJ/mol	Joback Calculated Property
ΔsubH°	[167.70; 168.00]	kJ/mol
ΔsubH°	168.00	kJ/mol	NIST
ΔsubH°	167.70	kJ/mol	NIST
ΔvapH°	83.59	kJ/mol	Joback Calculated Property
log10WS	-9.26		Crippen Calculated Property
logPoct/wat	9.169		Crippen Calculated Property
McVol	386.040	ml/mol	McGowan Calculated Property
Pc	868.62	kPa	Joback Calculated Property
Tboil	938.55	K	Joback Calculated Property
Tc	1166.04	K	Joback Calculated Property
Tfus	483.00	K	Joback Calculated Property
Vc	1.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1295.00; 1410.49]	J/mol×K	[938.55; 1166.04]
Cp,gas	1295.00	J/mol×K	938.55	Joback Calculated Property
Cp,gas	1316.60	J/mol×K	976.47	Joback Calculated Property
Cp,gas	1337.02	J/mol×K	1014.38	Joback Calculated Property
Cp,gas	1356.43	J/mol×K	1052.30	Joback Calculated Property
Cp,gas	1375.03	J/mol×K	1090.21	Joback Calculated Property
Cp,gas	1392.99	J/mol×K	1128.13	Joback Calculated Property
Cp,gas	1410.49	J/mol×K	1166.04	Joback Calculated Property
Cp,solid	631.30	J/mol×K	298.00	NIST
η	[0.0000101; 0.0005075]	Pa×s	[483.00; 938.55]
η	0.0005075	Pa×s	483.00	Joback Calculated Property
η	0.0001696	Pa×s	558.92	Joback Calculated Property
η	0.0000737	Pa×s	634.85	Joback Calculated Property
η	0.0000382	Pa×s	710.77	Joback Calculated Property
η	0.0000225	Pa×s	786.70	Joback Calculated Property
η	0.0000146	Pa×s	862.62	Joback Calculated Property
η	0.0000101	Pa×s	938.55	Joback Calculated Property
ΔfusH	29.71	kJ/mol	400.00	NIST

Similar Compounds

Find more compounds similar to 3,4-Diethyl-3,4-bis(4-tert-butylphenyl)-hexane.

Sources

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

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