Chemical Properties of 3,4-Diethyl-3,4-bis(4-tert-butylphenyl)-hexane

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

406.70

• 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_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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-18041.60 ± 1.30	kJ/mol	NIST
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
logPoct/wat	9.169		Crippen Calculated Property
McVol	386.040	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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