Chemical Properties of 2-Methoxybenzyl alcohol, 1-methylpropyl ether

InChI

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

InChI Key

XLHMMWNFVUYELO-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CCC(C)OCc1ccccc1OC

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

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[235.84; 554.39]	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			2.16920e+01
Coefficient B			8.84960e-01
Coefficient C			-3.74360e-04
Coefficient D			2.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.84	J/mol×K	273.00	Calculated Property
Cp,gas	288.90	J/mol×K	353.78	Calculated Property
Cp,gas	337.38	J/mol×K	434.56	Calculated Property
Cp,gas	381.35	J/mol×K	515.33	Calculated Property
Cp,gas	420.88	J/mol×K	596.11	Calculated Property
Cp,gas	456.04	J/mol×K	676.89	Calculated Property
Cp,gas	486.90	J/mol×K	757.67	Calculated Property
Cp,gas	513.54	J/mol×K	838.44	Calculated Property
Cp,gas	536.01	J/mol×K	919.22	Calculated Property
Cp,gas	554.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019359; 0.0001482]	Pa×s	[293.40; 526.08]	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			-1.20567e+01
Coefficient B			1.70452e+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.			293.40
Temperature range, max.			526.08
η	0.0019359	Pa×s	293.40	Calculated Property
η	0.0012094	Pa×s	319.25	Calculated Property
η	0.0008107	Pa×s	345.11	Calculated Property
η	0.0005746	Pa×s	370.96	Calculated Property
η	0.0004259	Pa×s	396.81	Calculated Property
η	0.0003275	Pa×s	422.66	Calculated Property
η	0.0002596	Pa×s	448.52	Calculated Property
η	0.0002110	Pa×s	474.37	Calculated Property
η	0.0001753	Pa×s	500.22	Calculated Property
η	0.0001482	Pa×s	526.08	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxybenzyl alcohol, 1-methylpropyl 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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