Chemical Properties of Carbonic acid, allyl 4-benzyloxyphenyl ester

InChI

InChI=1S/C17H16O4/c1-2-12-19-17(18)21-16-10-8-15(9-11-16)20-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2

InChI Key

GKDJASGAZGOOQZ-UHFFFAOYSA-N

Formula

C17H16O4

SMILES

C=CCOC(=O)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

284.31

• 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	[291.49; 672.88]	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			7.34200e+00
Coefficient B			1.20030e+00
Coefficient C			-6.02660e-04
Coefficient D			6.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.49	J/mol×K	273.00	Calculated Property
Cp,gas	359.56	J/mol×K	353.78	Calculated Property
Cp,gas	420.71	J/mol×K	434.56	Calculated Property
Cp,gas	475.14	J/mol×K	515.33	Calculated Property
Cp,gas	523.08	J/mol×K	596.11	Calculated Property
Cp,gas	564.74	J/mol×K	676.89	Calculated Property
Cp,gas	600.34	J/mol×K	757.67	Calculated Property
Cp,gas	630.08	J/mol×K	838.44	Calculated Property
Cp,gas	654.19	J/mol×K	919.22	Calculated Property
Cp,gas	672.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006955; 0.0000839]	Pa×s	[431.74; 680.99]	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			-1.30509e+01
Coefficient B			2.49548e+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.			431.74
Temperature range, max.			680.99
η	0.0006955	Pa×s	431.74	Calculated Property
η	0.0004909	Pa×s	459.43	Calculated Property
η	0.0003605	Pa×s	487.13	Calculated Property
η	0.0002736	Pa×s	514.82	Calculated Property
η	0.0002137	Pa×s	542.52	Calculated Property
η	0.0001709	Pa×s	570.21	Calculated Property
η	0.0001395	Pa×s	597.91	Calculated Property
η	0.0001160	Pa×s	625.60	Calculated Property
η	0.0000979	Pa×s	653.30	Calculated Property
η	0.0000839	Pa×s	680.99	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, allyl 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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