Chemical Properties of (2-Methylphenyl) methanol, 3-methylbutyl ether

InChI

InChI=1S/C13H20O/c1-11(2)8-9-14-10-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3

InChI Key

QPMBWRXBBBFSJF-UHFFFAOYSA-N

Formula

C13H20O

SMILES

Cc1ccccc1COCCC(C)C

Molecular Weight¹

192.30

• ω : Acentric Factor.
• 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

Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.64; 587.48]	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			-4.71700e+00
Coefficient B			1.04316e+00
Coefficient C			-5.39760e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.64	J/mol×K	273.00	Calculated Property
Cp,gas	300.71	J/mol×K	353.78	Calculated Property
Cp,gas	353.95	J/mol×K	434.56	Calculated Property
Cp,gas	401.67	J/mol×K	515.33	Calculated Property
Cp,gas	444.13	J/mol×K	596.11	Calculated Property
Cp,gas	481.62	J/mol×K	676.89	Calculated Property
Cp,gas	514.42	J/mol×K	757.67	Calculated Property
Cp,gas	542.81	J/mol×K	838.44	Calculated Property
Cp,gas	567.07	J/mol×K	919.22	Calculated Property
Cp,gas	587.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026219; 0.0001682]	Pa×s	[282.44; 525.64]	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			-1.18799e+01
Coefficient B			1.67659e+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.			282.44
Temperature range, max.			525.64
η	0.0026219	Pa×s	282.44	Calculated Property
η	0.0015614	Pa×s	309.46	Calculated Property
η	0.0010105	Pa×s	336.48	Calculated Property
η	0.0006977	Pa×s	363.51	Calculated Property
η	0.0005071	Pa×s	390.53	Calculated Property
η	0.0003841	Pa×s	417.55	Calculated Property
η	0.0003009	Pa×s	444.57	Calculated Property
η	0.0002424	Pa×s	471.60	Calculated Property
η	0.0001999	Pa×s	498.62	Calculated Property
η	0.0001682	Pa×s	525.64	Calculated Property

Similar Compounds

Find more compounds similar to (2-Methylphenyl) methanol, 3-methylbutyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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