Chemical Properties of Carbonic acid, 2-methoxyethyl 4-benzyloxyphenyl ester

InChI

InChI=1S/C17H18O5/c1-19-11-12-20-17(18)22-16-9-7-15(8-10-16)21-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3

InChI Key

IHGDDUZRHFUVPA-UHFFFAOYSA-N

Formula

C17H18O5

SMILES

COCCOC(=O)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

302.32

• 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).
• 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_c : Critical 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 Pressure, Critical Volume, 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	[316.70; 719.89]	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			3.58330e+01
Coefficient B			1.15712e+00
Coefficient C			-4.68760e-04
Coefficient D			-4.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.70	J/mol×K	273.00	Calculated Property
Cp,gas	386.34	J/mol×K	353.78	Calculated Property
Cp,gas	449.79	J/mol×K	434.56	Calculated Property
Cp,gas	507.06	J/mol×K	515.33	Calculated Property
Cp,gas	558.12	J/mol×K	596.11	Calculated Property
Cp,gas	602.97	J/mol×K	676.89	Calculated Property
Cp,gas	641.58	J/mol×K	757.67	Calculated Property
Cp,gas	673.95	J/mol×K	838.44	Calculated Property
Cp,gas	700.06	J/mol×K	919.22	Calculated Property
Cp,gas	719.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004877; 0.0000643]	Pa×s	[455.73; 694.77]	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			-1.35125e+01
Coefficient B			2.68273e+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.			455.73
Temperature range, max.			694.77
η	0.0004877	Pa×s	455.73	Calculated Property
η	0.0003527	Pa×s	482.29	Calculated Property
η	0.0002638	Pa×s	508.85	Calculated Property
η	0.0002031	Pa×s	535.41	Calculated Property
η	0.0001603	Pa×s	561.97	Calculated Property
η	0.0001292	Pa×s	588.53	Calculated Property
η	0.0001061	Pa×s	615.09	Calculated Property
η	0.0000886	Pa×s	641.65	Calculated Property
η	0.0000750	Pa×s	668.21	Calculated Property
η	0.0000643	Pa×s	694.77	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2-methoxyethyl 4-benzyloxyphenyl ester.

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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