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_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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-297.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.21	kJ/mol	Joback Calculated Property
ΔvapH°	78.14	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Relay (1.0) 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	561.62	K	Relay (1.0) Calculated Property
Tc	776.24	K	Relay (1.0) Calculated Property
Tfus	[449.17; 449.45]	K
Tfus	449.17 ± 0.30	K	NIST
Tfus	449.45 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[563.07; 655.80]	J/mol×K	[648.62; 874.53]
Cp,gas	563.07	J/mol×K	648.62	Joback Calculated Property
Cp,gas	581.17	J/mol×K	686.27	Joback Calculated Property
Cp,gas	598.03	J/mol×K	723.92	Joback Calculated Property
Cp,gas	613.77	J/mol×K	761.58	Joback Calculated Property
Cp,gas	628.56	J/mol×K	799.23	Joback Calculated Property
Cp,gas	642.52	J/mol×K	836.88	Joback Calculated Property
Cp,gas	655.80	J/mol×K	874.53	Joback Calculated Property
η	[0.0000144; 0.0008688]	Pa×s	[414.31; 648.62]
η	0.0008688	Pa×s	414.31	Joback Calculated Property
η	0.0003271	Pa×s	453.36	Joback Calculated Property
η	0.0001438	Pa×s	492.41	Joback Calculated Property
η	0.0000713	Pa×s	531.47	Joback Calculated Property
η	0.0000389	Pa×s	570.52	Joback Calculated Property
η	0.0000230	Pa×s	609.57	Joback Calculated Property
η	0.0000144	Pa×s	648.62	Joback Calculated Property
ΔvapH	65.00	kJ/mol	480.00	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.