Chemical Properties of P-cresol, 2,2'-methylene bis(6-(1,1,3,3-tetramethylbutyl))-

InChI

InChI=1S/C31H48O2/c1-20-13-22(26(32)24(15-20)30(9,10)18-28(3,4)5)17-23-14-21(2)16-25(27(23)33)31(11,12)19-29(6,7)8/h13-16,32-33H,17-19H2,1-12H3

InChI Key

LLLUKUXKUSKFLO-UHFFFAOYSA-N

Formula

C31H48O2

SMILES

Cc1cc(Cc2cc(C)cc(C(C)(C)CC(C)(C)C)c2O)c(O)c(C(C)(C)CC(C)(C)C)c1

Molecular Weight¹

452.72

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[586.73; 1420.14]	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			-1.51637e+02
Coefficient B			3.36564e+00
Coefficient C			-2.65676e-03
Coefficient D			8.62900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	586.73	J/mol×K	273.00	Calculated Property
Cp,gas	744.74	J/mol×K	353.78	Calculated Property
Cp,gas	880.03	J/mol×K	434.56	Calculated Property
Cp,gas	995.33	J/mol×K	515.33	Calculated Property
Cp,gas	1093.37	J/mol×K	596.11	Calculated Property
Cp,gas	1176.87	J/mol×K	676.89	Calculated Property
Cp,gas	1248.57	J/mol×K	757.67	Calculated Property
Cp,gas	1311.20	J/mol×K	838.44	Calculated Property
Cp,gas	1367.48	J/mol×K	919.22	Calculated Property
Cp,gas	1420.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000002; 1.7408334e-08]	Pa×s	[775.17; 970.24]	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			-2.72237e+01
Coefficient B			9.07892e+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.			775.17
Temperature range, max.			970.24
η	0.0000002	Pa×s	775.17	Calculated Property
η	0.0000001	Pa×s	796.84	Calculated Property
η	9.8636026e-08	Pa×s	818.52	Calculated Property
η	7.4091463e-08	Pa×s	840.19	Calculated Property
η	5.6461312e-08	Pa×s	861.87	Calculated Property
η	4.3603763e-08	Pa×s	883.54	Calculated Property
η	3.4093475e-08	Pa×s	905.22	Calculated Property
η	2.6965958e-08	Pa×s	926.89	Calculated Property
η	2.1558332e-08	Pa×s	948.56	Calculated Property
η	1.7408334e-08	Pa×s	970.24	Calculated Property

Similar Compounds

Find more compounds similar to P-cresol, 2,2'-methylene bis(6-(1,1,3,3-tetramethylbutyl))-.

Sources

• Cheméo Relay (1.0)
• 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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