Chemical Properties of (4-Methylphenyl) methanol, 3-methylbutyl ether

InChI

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

InChI Key

XPKWKRIVFZNOLI-UHFFFAOYSA-N

Formula

C13H20O

SMILES

Cc1ccc(COCCC(C)C)cc1

Molecular Weight¹

192.30

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.74	kJ/mol	Joback Calculated Property
ΔvapH°	65.29	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.558		Crippen Calculated Property
McVol	176.140	ml/mol	McGowan Calculated Property
Inp	[1423.00; 1423.00]
Inp	1423.00		NIST
Inp	1423.00		NIST
Tboil	511.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[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
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 (4-Methylphenyl) methanol, 3-methylbutyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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