Chemical Properties of Toluene, 3,4-bis(benzyloxy)-

InChI

InChI=1S/C21H20O2/c1-17-12-13-20(22-15-18-8-4-2-5-9-18)21(14-17)23-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3

InChI Key

JQAYGWDEFAVMCJ-UHFFFAOYSA-N

Formula

C21H20O2

SMILES

Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

Molecular Weight¹

304.39

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[315.11; 778.08]	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			-3.83180e+01
Coefficient B			1.51672e+00
Coefficient C			-8.56120e-04
Coefficient D			1.55800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.11	J/mol×K	273.00	Calculated Property
Cp,gas	398.01	J/mol×K	353.78	Calculated Property
Cp,gas	471.90	J/mol×K	434.56	Calculated Property
Cp,gas	537.26	J/mol×K	515.33	Calculated Property
Cp,gas	594.60	J/mol×K	596.11	Calculated Property
Cp,gas	644.40	J/mol×K	676.89	Calculated Property
Cp,gas	687.15	J/mol×K	757.67	Calculated Property
Cp,gas	723.36	J/mol×K	838.44	Calculated Property
Cp,gas	753.50	J/mol×K	919.22	Calculated Property
Cp,gas	778.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004930; 0.0000727]	Pa×s	[475.19; 741.91]	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			-1.29387e+01
Coefficient B			2.52972e+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.			475.19
Temperature range, max.			741.91
η	0.0004930	Pa×s	475.19	Calculated Property
η	0.0003606	Pa×s	504.83	Calculated Property
η	0.0002732	Pa×s	534.46	Calculated Property
η	0.0002130	Pa×s	564.10	Calculated Property
η	0.0001703	Pa×s	593.73	Calculated Property
η	0.0001391	Pa×s	623.37	Calculated Property
η	0.0001157	Pa×s	653.00	Calculated Property
η	0.0000978	Pa×s	682.64	Calculated Property
η	0.0000838	Pa×s	712.27	Calculated Property
η	0.0000727	Pa×s	741.91	Calculated Property

Similar Compounds

Find more compounds similar to Toluene, 3,4-bis(benzyloxy)-.

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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