Chemical Properties of Valeric acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C18H20O3/c1-2-3-9-18(19)21-17-12-10-16(11-13-17)20-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3

InChI Key

IGPTVJONPUIQKC-UHFFFAOYSA-N

Formula

C18H20O3

SMILES

CCCCC(=O)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

284.35

• 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).
• 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, Enthalpy of formation at standard conditions, 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	[307.11; 734.48]	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			-1.60760e+01
Coefficient B			1.37852e+00
Coefficient C			-7.45160e-04
Coefficient D			1.17200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.11	J/mol×K	273.00	Calculated Property
Cp,gas	383.54	J/mol×K	353.78	Calculated Property
Cp,gas	451.87	J/mol×K	434.56	Calculated Property
Cp,gas	512.47	J/mol×K	515.33	Calculated Property
Cp,gas	565.71	J/mol×K	596.11	Calculated Property
Cp,gas	611.96	J/mol×K	676.89	Calculated Property
Cp,gas	651.59	J/mol×K	757.67	Calculated Property
Cp,gas	684.98	J/mol×K	838.44	Calculated Property
Cp,gas	712.48	J/mol×K	919.22	Calculated Property
Cp,gas	734.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009057; 0.0000935]	Pa×s	[422.54; 680.26]	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			-1.30008e+01
Coefficient B			2.53271e+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.			422.54
Temperature range, max.			680.26
η	0.0009057	Pa×s	422.54	Calculated Property
η	0.0006191	Pa×s	451.18	Calculated Property
η	0.0004429	Pa×s	479.81	Calculated Property
η	0.0003290	Pa×s	508.45	Calculated Property
η	0.0002523	Pa×s	537.08	Calculated Property
η	0.0001987	Pa×s	565.72	Calculated Property
η	0.0001601	Pa×s	594.35	Calculated Property
η	0.0001317	Pa×s	622.99	Calculated Property
η	0.0001101	Pa×s	651.62	Calculated Property
η	0.0000935	Pa×s	680.26	Calculated Property

Similar Compounds

Find more compounds similar to Valeric acid, 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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