Chemical Properties of 2-Methoxybenzyl alcohol, n-butyl ether

InChI

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

InChI Key

VXUZNNBKVUZVJM-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CCCCOCc1ccccc1OC

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	[236.15; 553.85]	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			2.33740e+01
Coefficient B			8.79040e-01
Coefficient C			-3.71160e-04
Coefficient D			2.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.15	J/mol×K	273.00	Calculated Property
Cp,gas	288.91	J/mol×K	353.78	Calculated Property
Cp,gas	337.13	J/mol×K	434.56	Calculated Property
Cp,gas	380.90	J/mol×K	515.33	Calculated Property
Cp,gas	420.28	J/mol×K	596.11	Calculated Property
Cp,gas	455.34	J/mol×K	676.89	Calculated Property
Cp,gas	486.16	J/mol×K	757.67	Calculated Property
Cp,gas	512.80	J/mol×K	838.44	Calculated Property
Cp,gas	535.34	J/mol×K	919.22	Calculated Property
Cp,gas	553.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014761; 0.0001602]	Pa×s	[308.40; 523.50]	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			-1.19227e+01
Coefficient B			1.66670e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			308.40
Temperature range, max.			523.50
η	0.0014761	Pa×s	308.40	Calculated Property
η	0.0010007	Pa×s	332.30	Calculated Property
η	0.0007147	Pa×s	356.20	Calculated Property
η	0.0005326	Pa×s	380.10	Calculated Property
η	0.0004109	Pa×s	404.00	Calculated Property
η	0.0003263	Pa×s	427.90	Calculated Property
η	0.0002656	Pa×s	451.80	Calculated Property
η	0.0002206	Pa×s	475.70	Calculated Property
η	0.0001866	Pa×s	499.60	Calculated Property
η	0.0001602	Pa×s	523.50	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxybenzyl alcohol, n-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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