Chemical Properties of Benzene, 1,3-bis(1,1-dimethylethyl)-2-methoxy-5-methyl- (CAS 1518-53-2)

InChI

InChI=1S/C16H26O/c1-11-9-12(15(2,3)4)14(17-8)13(10-11)16(5,6)7/h9-10H,1-8H3

InChI Key

TVWAVADIILZVIY-UHFFFAOYSA-N

Formula

C16H26O

SMILES

COc1c(C(C)(C)C)cc(C)cc1C(C)(C)C

Molecular Weight¹

234.38

CAS

1518-53-2

Other Names

• 2,6-bis-(tertiobutyl)-4-methyl anisole

• 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).
• 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.
• 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°	68.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-321.17	kJ/mol	Joback Calculated Property
ΔfusH°	16.43	kJ/mol	Joback Calculated Property
ΔvapH°	55.29	kJ/mol	Joback Calculated Property
log10WS	-4.69		Crippen Calculated Property
logPoct/wat	4.599		Crippen Calculated Property
McVol	218.410	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[1496.00; 1496.00]
Inp	1496.00		NIST
Inp	1496.00		NIST
Tboil	623.06	K	Joback Calculated Property
Tc	835.09	K	Joback Calculated Property
Tfus	361.13	K	Joback Calculated Property
Vc	0.820	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.40; 682.34]	J/mol×K	[623.06; 835.09]
Cp,gas	580.40	J/mol×K	623.06	Joback Calculated Property
Cp,gas	600.17	J/mol×K	658.40	Joback Calculated Property
Cp,gas	618.76	J/mol×K	693.74	Joback Calculated Property
Cp,gas	636.21	J/mol×K	729.07	Joback Calculated Property
Cp,gas	652.58	J/mol×K	764.41	Joback Calculated Property
Cp,gas	667.94	J/mol×K	799.75	Joback Calculated Property
Cp,gas	682.34	J/mol×K	835.09	Joback Calculated Property
η	[0.0000884; 0.0012854]	Pa×s	[361.13; 623.06]
η	0.0012854	Pa×s	361.13	Joback Calculated Property
η	0.0006468	Pa×s	404.78	Joback Calculated Property
η	0.0003720	Pa×s	448.44	Joback Calculated Property
η	0.0002360	Pa×s	492.09	Joback Calculated Property
η	0.0001613	Pa×s	535.75	Joback Calculated Property
η	0.0001167	Pa×s	579.40	Joback Calculated Property
η	0.0000884	Pa×s	623.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-bis(1,1-dimethylethyl)-2-methoxy-5-methyl-.

Sources

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

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