Chemical Properties of ANISYL PHENYLACETATE

InChI

InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3

InChI Key

VCYWCSZLXMMLLE-UHFFFAOYSA-N

Formula

C16H16O3

SMILES

COc1ccc(COC(=O)Cc2ccccc2)cc1

Molecular Weight¹

256.30

Other Names

• Acetic acid, phenyl-, p-methoxybenzyl ester
• p-Anisyl phenylacetate
• p-Methoxybenzyl phenylacetate
• Phenylacetic acid, p-methoxybenzyl ester
• 4-methoxybenzyl phenylacetate

• 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).
• P_c : Critical Pressure (kPa).
• 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 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	[264.68; 631.30]	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			-1.42580e+01
Coefficient B			1.18852e+00
Coefficient C			-6.36360e-04
Coefficient D			9.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.68	J/mol×K	273.00	Calculated Property
Cp,gas	330.70	J/mol×K	353.78	Calculated Property
Cp,gas	389.72	J/mol×K	434.56	Calculated Property
Cp,gas	442.01	J/mol×K	515.33	Calculated Property
Cp,gas	487.89	J/mol×K	596.11	Calculated Property
Cp,gas	527.64	J/mol×K	676.89	Calculated Property
Cp,gas	561.56	J/mol×K	757.67	Calculated Property
Cp,gas	589.95	J/mol×K	838.44	Calculated Property
Cp,gas	613.10	J/mol×K	919.22	Calculated Property
Cp,gas	631.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010641; 0.0001095]	Pa×s	[400.00; 653.50]	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			-1.27066e+01
Coefficient B			2.34439e+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.			400.00
Temperature range, max.			653.50
η	0.0010641	Pa×s	400.00	Calculated Property
η	0.0007236	Pa×s	428.17	Calculated Property
η	0.0005161	Pa×s	456.33	Calculated Property
η	0.0003829	Pa×s	484.50	Calculated Property
η	0.0002935	Pa×s	512.66	Calculated Property
η	0.0002313	Pa×s	540.83	Calculated Property
η	0.0001866	Pa×s	569.00	Calculated Property
η	0.0001537	Pa×s	597.16	Calculated Property
η	0.0001288	Pa×s	625.33	Calculated Property
η	0.0001095	Pa×s	653.50	Calculated Property

Similar Compounds

Find more compounds similar to ANISYL PHENYLACETATE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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