Chemical Properties of Phenol, 4-methyl-2-(1-methylethyl)- (CAS 4427-56-9)

InChI

InChI=1S/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3

InChI Key

DSTPUJAJSXTJHM-UHFFFAOYSA-N

Formula

C10H14O

SMILES

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

Molecular Weight¹

150.22

CAS

4427-56-9

Other Names

• 2-Isopropyl-4-methylphenol
• 2-isopropyl-p-cresol
• 4-Methyl-2-isopropylphenol (Isothymol)

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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).
• I_np : Non-polar retention indices.
• I : 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

Property	Value	Unit	Source
ω	0.5361		Relay (1.0) Calculated Property
ΔcH°liquid	-5661.00	kJ/mol	NIST
ΔfH°gas	-198.40	kJ/mol	NIST
ΔfH°liquid	-280.00	kJ/mol	NIST
ΔfusH°	17.57	kJ/mol	Joback Calculated Property
ΔvapH°	[77.74; 81.60]	kJ/mol
ΔvapH°	77.74	kJ/mol	NIST
ΔvapH°	81.60	kJ/mol	NIST
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	2.824		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
Inp	[1262.00; 1262.00]
Inp	1262.00		NIST
Inp	1262.00		NIST
I	[2179.00; 2181.00]
I	2179.00		NIST
I	2181.00		NIST
I	2181.00		NIST
Tboil	507.65 ± 4.00	K	NIST
Tc	716.41	K	Relay (1.0) Calculated Property
Tfus	[306.65; 310.15]	K
Tfus	308.15 ± 2.00	K	NIST
Tfus	310.15 ± 2.00	K	NIST
Tfus	306.65 ± 2.00	K	NIST
Tfus	309.65 ± 2.00	K	NIST
Tfus	309.15 ± 2.00	K	NIST
Vc	0.465	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.72; 382.68]	J/mol×K	[540.24; 764.80]
Cp,gas	311.72	J/mol×K	540.24	Joback Calculated Property
Cp,gas	325.58	J/mol×K	577.67	Joback Calculated Property
Cp,gas	338.53	J/mol×K	615.09	Joback Calculated Property
Cp,gas	350.63	J/mol×K	652.52	Joback Calculated Property
Cp,gas	361.98	J/mol×K	689.95	Joback Calculated Property
Cp,gas	372.63	J/mol×K	727.37	Joback Calculated Property
Cp,gas	382.68	J/mol×K	764.80	Joback Calculated Property
η	[0.0000534; 0.0035167]	Pa×s	[338.12; 540.24]
η	0.0035167	Pa×s	338.12	Joback Calculated Property
η	0.0012755	Pa×s	371.81	Joback Calculated Property
η	0.0005475	Pa×s	405.49	Joback Calculated Property
η	0.0002676	Pa×s	439.18	Joback Calculated Property
η	0.0001448	Pa×s	472.87	Joback Calculated Property
η	0.0000851	Pa×s	506.55	Joback Calculated Property
η	0.0000534	Pa×s	540.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-methyl-2-(1-methylethyl)-.

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.
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