Chemical Properties of M-cresol, 4,4'-ethylidene bis(6-tert-octyl)-

InChI

InChI=1S/C32H50O2/c1-22-18-29(33)25(14-10-12-16-31(4,5)6)20-27(22)24(3)28-21-26(30(34)19-23(28)2)15-11-13-17-32(7,8)9/h18-21,24,33-34H,10-17H2,1-9H3

InChI Key

IJPNNLJSXFNBME-UHFFFAOYSA-N

Formula

C32H50O2

SMILES

Cc1cc(O)c(CCCCC(C)(C)C)cc1C(C)c1cc(CCCCC(C)(C)C)c(O)cc1C

Molecular Weight¹

466.75

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.55; 1469.34]	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			-1.05282e+02
Coefficient B			3.21488e+00
Coefficient C			-2.37076e-03
Coefficient D			7.30500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	610.55	J/mol×K	273.00	Calculated Property
Cp,gas	767.70	J/mol×K	353.78	Calculated Property
Cp,gas	904.02	J/mol×K	434.56	Calculated Property
Cp,gas	1021.83	J/mol×K	515.33	Calculated Property
Cp,gas	1123.44	J/mol×K	596.11	Calculated Property
Cp,gas	1211.16	J/mol×K	676.89	Calculated Property
Cp,gas	1287.30	J/mol×K	757.67	Calculated Property
Cp,gas	1354.17	J/mol×K	838.44	Calculated Property
Cp,gas	1414.08	J/mol×K	919.22	Calculated Property
Cp,gas	1469.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000003; 2.1045421e-08]	Pa×s	[766.60; 994.10]	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			-2.64582e+01
Coefficient B			8.72982e+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.			766.60
Temperature range, max.			994.10
η	0.0000003	Pa×s	766.60	Calculated Property
η	0.0000002	Pa×s	791.88	Calculated Property
η	0.0000001	Pa×s	817.16	Calculated Property
η	0.0000001	Pa×s	842.43	Calculated Property
η	7.5625955e-08	Pa×s	867.71	Calculated Property
η	5.6883757e-08	Pa×s	892.99	Calculated Property
η	4.3462539e-08	Pa×s	918.27	Calculated Property
η	3.3690236e-08	Pa×s	943.55	Calculated Property
η	2.6464579e-08	Pa×s	968.82	Calculated Property
η	2.1045421e-08	Pa×s	994.10	Calculated Property

Similar Compounds

Find more compounds similar to M-cresol, 4,4'-ethylidene bis(6-tert-octyl)-.

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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