Chemical Properties of (3-Methoxyphenyl) methanol, tert.-butyl ether

InChI

InChI=1S/C12H18O2/c1-12(2,3)14-9-10-6-5-7-11(8-10)13-4/h5-8H,9H2,1-4H3

InChI Key

WWSILOPDQGQAJM-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

COc1cccc(COC(C)(C)C)c1

Molecular Weight¹

194.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.69; 555.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.09900e+00
Coefficient B			1.00488e+00
Coefficient C			-5.42960e-04
Coefficient D			9.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.69	J/mol×K	273.00	Calculated Property
Cp,gas	290.63	J/mol×K	353.78	Calculated Property
Cp,gas	340.80	J/mol×K	434.56	Calculated Property
Cp,gas	385.49	J/mol×K	515.33	Calculated Property
Cp,gas	425.00	J/mol×K	596.11	Calculated Property
Cp,gas	459.63	J/mol×K	676.89	Calculated Property
Cp,gas	489.68	J/mol×K	757.67	Calculated Property
Cp,gas	515.44	J/mol×K	838.44	Calculated Property
Cp,gas	537.22	J/mol×K	919.22	Calculated Property
Cp,gas	555.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017989; 0.0001425]	Pa×s	[310.82; 529.67]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.24567e+01
Coefficient B			1.90724e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			310.82
Temperature range, max.			529.67
η	0.0017989	Pa×s	310.82	Calculated Property
η	0.0011525	Pa×s	335.14	Calculated Property
η	0.0007843	Pa×s	359.45	Calculated Property
η	0.0005603	Pa×s	383.77	Calculated Property
η	0.0004167	Pa×s	408.09	Calculated Property
η	0.0003204	Pa×s	432.40	Calculated Property
η	0.0002533	Pa×s	456.72	Calculated Property
η	0.0002051	Pa×s	481.03	Calculated Property
η	0.0001695	Pa×s	505.35	Calculated Property
η	0.0001425	Pa×s	529.67	Calculated Property

Similar Compounds

Find more compounds similar to (3-Methoxyphenyl) methanol, tert.-butyl ether.

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

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