Chemical Properties of Ethyl 3,4-dimethoxyphenyl acetate

InChI

InChI=1S/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3

InChI Key

WZKCZNJTDZCNMH-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

CCOC(=O)Cc1ccc(OC)c(OC)c1

Molecular Weight¹

224.26

Other Names

• Acetic acid, (3,4-dimethoxyphenyl)-, ethyl ester
• Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester
• Ethyl dimethoxyphenylacetate
• Homoveratric acid, ethyl ester

• 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).
• 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	[255.04; 558.92]	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			6.30820e+01
Coefficient B			7.64760e-01
Coefficient C			-2.09520e-04
Coefficient D			-5.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.04	J/mol×K	273.00	Calculated Property
Cp,gas	304.78	J/mol×K	353.78	Calculated Property
Cp,gas	350.97	J/mol×K	434.56	Calculated Property
Cp,gas	393.42	J/mol×K	515.33	Calculated Property
Cp,gas	431.93	J/mol×K	596.11	Calculated Property
Cp,gas	466.32	J/mol×K	676.89	Calculated Property
Cp,gas	496.40	J/mol×K	757.67	Calculated Property
Cp,gas	521.99	J/mol×K	838.44	Calculated Property
Cp,gas	542.89	J/mol×K	919.22	Calculated Property
Cp,gas	558.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009759; 0.0001311]	Pa×s	[363.25; 570.88]	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			-1.24522e+01
Coefficient B			2.00516e+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.			363.25
Temperature range, max.			570.88
η	0.0009759	Pa×s	363.25	Calculated Property
η	0.0007018	Pa×s	386.32	Calculated Property
η	0.0005239	Pa×s	409.39	Calculated Property
η	0.0004034	Pa×s	432.46	Calculated Property
η	0.0003190	Pa×s	455.53	Calculated Property
η	0.0002580	Pa×s	478.60	Calculated Property
η	0.0002128	Pa×s	501.67	Calculated Property
η	0.0001785	Pa×s	524.74	Calculated Property
η	0.0001520	Pa×s	547.81	Calculated Property
η	0.0001311	Pa×s	570.88	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3,4-dimethoxyphenyl acetate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.