Chemical Properties of 2-tert-butyl-4,5-dimethylphenol (CAS 1445-23-4)

InChI

InChI=1S/C12H18O/c1-8-6-10(12(3,4)5)11(13)7-9(8)2/h6-7,13H,1-5H3

InChI Key

GDGFDAKCWRGGHW-UHFFFAOYSA-N

Formula

C12H18O

SMILES

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

Molecular Weight¹

178.28

CAS

1445-23-4

• 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).
• 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.95; 487.78]	J/mol×K	[587.99; 814.25]
Cp,gas	407.95	J/mol×K	587.99	Joback Calculated Property
Cp,gas	423.54	J/mol×K	625.70	Joback Calculated Property
Cp,gas	438.08	J/mol×K	663.41	Joback Calculated Property
Cp,gas	451.67	J/mol×K	701.12	Joback Calculated Property
Cp,gas	464.42	J/mol×K	738.83	Joback Calculated Property
Cp,gas	476.42	J/mol×K	776.54	Joback Calculated Property
Cp,gas	487.78	J/mol×K	814.25	Joback Calculated Property
η	[0.0000316; 0.0010949]	Pa×s	[390.60; 587.99]
η	0.0010949	Pa×s	390.60	Joback Calculated Property
η	0.0004821	Pa×s	423.50	Joback Calculated Property
η	0.0002389	Pa×s	456.40	Joback Calculated Property
η	0.0001301	Pa×s	489.30	Joback Calculated Property
η	0.0000765	Pa×s	522.19	Joback Calculated Property
η	0.0000479	Pa×s	555.09	Joback Calculated Property
η	0.0000316	Pa×s	587.99	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[405.32; 564.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53068e+01
Coefficient B			-4.75163e+03
Coefficient C			-8.89490e+01
Temperature range, min.			405.32
Temperature range, max.			564.34
Pvap	1.33	kPa	405.32	Calculated Property
Pvap	2.95	kPa	422.99	Calculated Property
Pvap	6.03	kPa	440.66	Calculated Property
Pvap	11.51	kPa	458.33	Calculated Property
Pvap	20.70	kPa	476.00	Calculated Property
Pvap	35.38	kPa	493.66	Calculated Property
Pvap	57.81	kPa	511.33	Calculated Property
Pvap	90.82	kPa	529.00	Calculated Property
Pvap	137.79	kPa	546.67	Calculated Property
Pvap	202.67	kPa	564.34	Calculated Property

Similar Compounds

Find more compounds similar to 2-tert-butyl-4,5-dimethylphenol.

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
• The Yaws Handbook of Vapor Pressure

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