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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• P_vap : Vapor 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.55; 654.63]	J/mol×K	[653.40; 880.13]
Cp,gas	562.55	J/mol×K	653.40	Joback Calculated Property
Cp,gas	580.43	J/mol×K	691.19	Joback Calculated Property
Cp,gas	597.12	J/mol×K	728.98	Joback Calculated Property
Cp,gas	612.75	J/mol×K	766.77	Joback Calculated Property
Cp,gas	627.45	J/mol×K	804.56	Joback Calculated Property
Cp,gas	641.37	J/mol×K	842.35	Joback Calculated Property
Cp,gas	654.63	J/mol×K	880.13	Joback Calculated Property
η	[0.0000139; 0.0006069]	Pa×s	[426.83; 653.40]
η	0.0006069	Pa×s	426.83	Joback Calculated Property
η	0.0002505	Pa×s	464.59	Joback Calculated Property
η	0.0001181	Pa×s	502.35	Joback Calculated Property
η	0.0000618	Pa×s	540.12	Joback Calculated Property
η	0.0000352	Pa×s	577.88	Joback Calculated Property
η	0.0000215	Pa×s	615.64	Joback Calculated Property
η	0.0000139	Pa×s	653.40	Joback Calculated Property
ΔvapH	67.00	kJ/mol	465.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[424.12; 599.04]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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