Chemical Properties of Benzene, 2-(1,1-dimethylethyl)-1,4-dimethoxy- (CAS 21112-37-8)

InChI

InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3

InChI Key

ALVJDUNBMKMTDC-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

COc1ccc(OC)c(C(C)(C)C)c1

Molecular Weight¹

194.27

CAS

21112-37-8

Other Names

• Benzene, 2-tert-butyl-1,4-dimethoxy-
• 3-t-Butyl-4-methoxyphenol methyl derivative
• 1,4-Dimethoxy-2-tert-butylbenzene
• 2-tert-Butyl-1,4-dimethoxybenzene
• tert-Butylhydroquinone, dimethyl ether
• Benzene, 1,4-dimethoxy-2-(1,1-dimethylethyl)

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-315.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.06	kJ/mol	Joback Calculated Property
ΔvapH°	68.03	kJ/mol	Relay (1.0) Calculated Property
IE	7.73	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.001		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Inp	[1398.00; 1425.40]
Inp	1425.40		NIST
Inp	1408.00		NIST
Inp	1398.00		NIST
Inp	1408.00		NIST
I	[1870.00; 1870.00]
I	1870.00		NIST
I	1870.00		NIST
Tboil	529.95	K	Relay (1.0) Calculated Property
Tfus	306.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[401.85; 488.20]	J/mol×K	[552.21; 762.44]
Cp,gas	401.85	J/mol×K	552.21	Joback Calculated Property
Cp,gas	418.35	J/mol×K	587.25	Joback Calculated Property
Cp,gas	433.99	J/mol×K	622.29	Joback Calculated Property
Cp,gas	448.77	J/mol×K	657.32	Joback Calculated Property
Cp,gas	462.72	J/mol×K	692.36	Joback Calculated Property
Cp,gas	475.86	J/mol×K	727.40	Joback Calculated Property
Cp,gas	488.20	J/mol×K	762.44	Joback Calculated Property
η	[0.0001232; 0.0013298]	Pa×s	[323.34; 552.21]
η	0.0013298	Pa×s	323.34	Joback Calculated Property
η	0.0007257	Pa×s	361.49	Joback Calculated Property
η	0.0004445	Pa×s	399.63	Joback Calculated Property
η	0.0002966	Pa×s	437.78	Joback Calculated Property
η	0.0002111	Pa×s	475.92	Joback Calculated Property
η	0.0001581	Pa×s	514.07	Joback Calculated Property
η	0.0001232	Pa×s	552.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2-(1,1-dimethylethyl)-1,4-dimethoxy-.

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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