Chemical Properties of Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)- (CAS 31574-44-4)

InChI

InChI=1S/C11H16O/c1-8(2)10-7-9(3)5-6-11(10)12-4/h5-8H,1-4H3

InChI Key

CVUAHQAQHICPSF-UHFFFAOYSA-N

Formula

C11H16O

SMILES

COc1ccc(C)cc1C(C)C

Molecular Weight¹

164.24

CAS

31574-44-4

Other Names

• 2-Isopropyl-1-methoxy-4-methylbenzene
• Isothymol methyl ether
• Anisole, 2-isopropyl-4-methyl-
• 2-isopropyl-4-methylanisole

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-185.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.17	kJ/mol	Joback Calculated Property
ΔvapH°	61.13	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	3.127		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Inp	[1215.00; 1244.00]
Inp	1244.00		NIST
Inp	1244.00		NIST
Inp	1215.00		NIST
I	[1576.00; 1595.00]
I	1576.00		NIST
I	1595.00		NIST
I	1595.00		NIST
I	1595.00		NIST
Tboil	489.83	K	Relay (1.0) Calculated Property
Tc	695.16	K	Relay (1.0) Calculated Property
Tfus	293.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, 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	[326.80; 408.24]	J/mol×K	[509.90; 717.24]
Cp,gas	326.80	J/mol×K	509.90	Joback Calculated Property
Cp,gas	342.12	J/mol×K	544.46	Joback Calculated Property
Cp,gas	356.73	J/mol×K	579.01	Joback Calculated Property
Cp,gas	370.64	J/mol×K	613.57	Joback Calculated Property
Cp,gas	383.85	J/mol×K	648.13	Joback Calculated Property
Cp,gas	396.38	J/mol×K	682.68	Joback Calculated Property
Cp,gas	408.24	J/mol×K	717.24	Joback Calculated Property
η	[0.0001621; 0.0018910]	Pa×s	[272.42; 509.90]
η	0.0018910	Pa×s	272.42	Joback Calculated Property
η	0.0009684	Pa×s	312.00	Joback Calculated Property
η	0.0005766	Pa×s	351.58	Joback Calculated Property
η	0.0003813	Pa×s	391.16	Joback Calculated Property
η	0.0002721	Pa×s	430.74	Joback Calculated Property
η	0.0002055	Pa×s	470.32	Joback Calculated Property
η	0.0001621	Pa×s	509.90	Joback Calculated Property

Similar Compounds

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

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
• 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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