Chemical Properties of 4,6-di-tert-Butyl-m-cresol (CAS 497-39-2)

InChI

InChI=1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3

InChI Key

WYSSJDOPILWQDC-UHFFFAOYSA-N

Formula

C15H24O

SMILES

Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C

Molecular Weight¹

220.35

CAS

497-39-2

Other Names

• 2,4-Di-t-butyl-5-methylphenol
• 2,4-Di-tert-butyl-5-methylphenol
• 4,6-Di-t-butyl-m-cresol
• Dbmc
• Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl-
• m-Cresol, 4,6-di-tert-butyl-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.50; 693.94]	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			-7.39200e+01
Coefficient B			1.63724e+00
Coefficient C			-1.28928e-03
Coefficient D			4.19900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.50	J/mol×K	273.00	Calculated Property
Cp,gas	362.53	J/mol×K	353.78	Calculated Property
Cp,gas	428.54	J/mol×K	434.56	Calculated Property
Cp,gas	484.88	J/mol×K	515.33	Calculated Property
Cp,gas	532.86	J/mol×K	596.11	Calculated Property
Cp,gas	573.82	J/mol×K	676.89	Calculated Property
Cp,gas	609.07	J/mol×K	757.67	Calculated Property
Cp,gas	639.96	J/mol×K	838.44	Calculated Property
Cp,gas	667.81	J/mol×K	919.22	Calculated Property
Cp,gas	693.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006069; 0.0000214]	Pa×s	[426.83; 616.28]	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			-1.82958e+01
Coefficient B			4.64760e+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.			426.83
Temperature range, max.			616.28
η	0.0006069	Pa×s	426.83	Calculated Property
η	0.0003638	Pa×s	447.88	Calculated Property
η	0.0002283	Pa×s	468.93	Calculated Property
η	0.0001492	Pa×s	489.98	Calculated Property
η	0.0001009	Pa×s	511.03	Calculated Property
η	0.0000704	Pa×s	532.08	Calculated Property
η	0.0000505	Pa×s	553.13	Calculated Property
η	0.0000371	Pa×s	574.18	Calculated Property
η	0.0000279	Pa×s	595.23	Calculated Property
η	0.0000214	Pa×s	616.28	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[424.12; 599.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47505e+01
Coefficient B			-4.75306e+03
Coefficient C			-9.54820e+01
Temperature range, min.			424.12
Temperature range, max.			599.04
Pvap	1.33	kPa	424.12	Calculated Property
Pvap	2.99	kPa	443.56	Calculated Property
Pvap	6.16	kPa	462.99	Calculated Property
Pvap	11.79	kPa	482.43	Calculated Property
Pvap	21.21	kPa	501.86	Calculated Property
Pvap	36.17	kPa	521.30	Calculated Property
Pvap	58.88	kPa	540.73	Calculated Property
Pvap	92.02	kPa	560.17	Calculated Property
Pvap	138.74	kPa	579.60	Calculated Property
Pvap	202.66	kPa	599.04	Calculated Property

Similar Compounds

Find more compounds similar to 4,6-di-tert-Butyl-m-cresol.

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
• The Yaws Handbook of Vapor Pressure

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