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

InChI

InChI=1S/C13H20O2/c1-3-4-7-10-15-11-12-8-5-6-9-13(12)14-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3

InChI Key

HJCJONDTYZDBPV-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CCCCCOCc1ccccc1OC

Molecular Weight¹

208.30

• 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.
• 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, 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	[257.36; 605.45]	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			2.24650e+01
Coefficient B			9.74040e-01
Coefficient C			-4.25560e-04
Coefficient D			3.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.36	J/mol×K	273.00	Calculated Property
Cp,gas	315.32	J/mol×K	353.78	Calculated Property
Cp,gas	368.21	J/mol×K	434.56	Calculated Property
Cp,gas	416.13	J/mol×K	515.33	Calculated Property
Cp,gas	459.19	J/mol×K	596.11	Calculated Property
Cp,gas	497.50	J/mol×K	676.89	Calculated Property
Cp,gas	531.17	J/mol×K	757.67	Calculated Property
Cp,gas	560.31	J/mol×K	838.44	Calculated Property
Cp,gas	585.04	J/mol×K	919.22	Calculated Property
Cp,gas	605.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014392; 0.0001542]	Pa×s	[319.67; 537.68]	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			-1.20520e+01
Coefficient B			1.76086e+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.			319.67
Temperature range, max.			537.68
η	0.0014392	Pa×s	319.67	Calculated Property
η	0.0009764	Pa×s	343.89	Calculated Property
η	0.0006971	Pa×s	368.12	Calculated Property
η	0.0005188	Pa×s	392.34	Calculated Property
η	0.0003997	Pa×s	416.56	Calculated Property
η	0.0003168	Pa×s	440.79	Calculated Property
η	0.0002573	Pa×s	465.01	Calculated Property
η	0.0002133	Pa×s	489.23	Calculated Property
η	0.0001800	Pa×s	513.46	Calculated Property
η	0.0001542	Pa×s	537.68	Calculated Property

Similar Compounds

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