Chemical Properties of 4-Methyl-2-tert-octylphenol (CAS 4979-46-8)

InChI

InChI=1S/C15H24O/c1-11-7-8-13(16)12(9-11)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3

InChI Key

MWJFTXUNWYQEIU-UHFFFAOYSA-N

Formula

C15H24O

SMILES

Cc1ccc(O)c(C(C)(C)CC(C)(C)C)c1

Molecular Weight¹

220.35

CAS

4979-46-8

Other Names

• 4-Methyl-2-t-octylphenol
• 2-(1,1,3,3-Tetramethylbutyl)-p-cresol
• p-Cresol, 2-(1,1,3,3-tetramethylbutyl)
• 4-Methyl-2-(1,1,3,3-tetramethylbutyl)phenol

• 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).
• 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

Property	Value	Unit	Source
ΔfG°	29.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-322.68	kJ/mol	Joback Calculated Property
ΔfusH°	19.21	kJ/mol	Joback Calculated Property
ΔvapH°	62.34	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	4.414		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Pc	2153.30	kPa	Joback Calculated Property
Tboil	648.42	K	Joback Calculated Property
Tc	874.26	K	Joback Calculated Property
Tfus	[449.17; 449.45]	K
Tfus	449.17 ± 0.30	K	NIST
Tfus	449.45 ± 0.20	K	NIST
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.97; 655.71]	J/mol×K	[648.42; 874.26]
Cp,gas	562.97	J/mol×K	648.42	Joback Calculated Property
Cp,gas	581.07	J/mol×K	686.06	Joback Calculated Property
Cp,gas	597.93	J/mol×K	723.70	Joback Calculated Property
Cp,gas	613.68	J/mol×K	761.34	Joback Calculated Property
Cp,gas	628.46	J/mol×K	798.98	Joback Calculated Property
Cp,gas	642.42	J/mol×K	836.62	Joback Calculated Property
Cp,gas	655.71	J/mol×K	874.26	Joback Calculated Property
η	[0.0000145; 0.0008688]	Pa×s	[414.31; 648.42]
η	0.0008688	Pa×s	414.31	Joback Calculated Property
η	0.0003273	Pa×s	453.33	Joback Calculated Property
η	0.0001440	Pa×s	492.35	Joback Calculated Property
η	0.0000714	Pa×s	531.37	Joback Calculated Property
η	0.0000390	Pa×s	570.38	Joback Calculated Property
η	0.0000230	Pa×s	609.40	Joback Calculated Property
η	0.0000145	Pa×s	648.42	Joback Calculated Property
ΔvapH	65.00	kJ/mol	480.00	NIST

Similar Compounds

Find more compounds similar to 4-Methyl-2-tert-octylphenol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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