Chemical Properties of 6-tert-Butyl-2,4-dimethylphenol (CAS 1879-09-0)

InChI

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

InChI Key

OPLCSTZDXXUYDU-UHFFFAOYSA-N

Formula

C12H18O

SMILES

Cc1cc(C)c(O)c(C(C)(C)C)c1

Molecular Weight¹

178.27

CAS

1879-09-0

Other Names

• 2,4-Dimethyl-6-tert-butylphenol
• 2,4-Xylenol, 6-tert-butyl-
• 2-Methyl-6-tert-butyl-p-cresol
• 2-tert-Butyl-4,6-dimethylphenol
• 6-t-Butyl-2,4-dimethylphenol
• 6-t-Butyl-2,4-xylenol
• 6-tert-Butyl-2,4-xylenol
• NSC 8130
• Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-
• Prodox 340
• Topanol A

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• I_np : Non-polar retention indices.
• 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	[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
ΔvapH	[45.40; 67.20]	kJ/mol	[318.50; 455.00]
ΔvapH	67.20 ± 0.80	kJ/mol	318.50	NIST
ΔvapH	54.40	kJ/mol	439.50	NIST
ΔvapH	52.70	kJ/mol	439.50	NIST
ΔvapH	51.70	kJ/mol	439.50	NIST
ΔvapH	49.70	kJ/mol	439.50	NIST
ΔvapH	45.40	kJ/mol	439.50	NIST
ΔvapH	58.40	kJ/mol	455.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[397.72; 535.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.66619e+01
Coefficient B			-5.09917e+03
Coefficient C			-8.63080e+01
Temperature range, min.			397.72
Temperature range, max.			535.56
Pvap	1.33	kPa	397.72	Calculated Property
Pvap	2.87	kPa	413.04	Calculated Property
Pvap	5.78	kPa	428.35	Calculated Property
Pvap	10.95	kPa	443.67	Calculated Property
Pvap	19.67	kPa	458.98	Calculated Property
Pvap	33.76	kPa	474.30	Calculated Property
Pvap	55.62	kPa	489.61	Calculated Property
Pvap	88.33	kPa	504.93	Calculated Property
Pvap	135.77	kPa	520.24	Calculated Property
Pvap	202.67	kPa	535.56	Calculated Property

Similar Compounds

Find more compounds similar to 6-tert-Butyl-2,4-dimethylphenol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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