Chemical Properties of Methyl (3,4-dimethoxyphenyl)(methoxy)acetate

InChI

InChI=1S/C12H16O5/c1-14-9-6-5-8(7-10(9)15-2)11(16-3)12(13)17-4/h5-7,11H,1-4H3

InChI Key

SUBCZXXODUGNAT-UHFFFAOYSA-N

Formula

C12H16O5

SMILES

COC(=O)C(OC)c1ccc(OC)c(OC)c1

Molecular Weight¹

240.25

• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[270.13; 577.96]	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			8.69000e+01
Coefficient B			7.07480e-01
Coefficient C			-1.01720e-04
Coefficient D			-1.14700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.13	J/mol×K	273.00	Calculated Property
Cp,gas	319.38	J/mol×K	353.78	Calculated Property
Cp,gas	365.72	J/mol×K	434.56	Calculated Property
Cp,gas	408.78	J/mol×K	515.33	Calculated Property
Cp,gas	448.19	J/mol×K	596.11	Calculated Property
Cp,gas	483.61	J/mol×K	676.89	Calculated Property
Cp,gas	514.65	J/mol×K	757.67	Calculated Property
Cp,gas	540.97	J/mol×K	838.44	Calculated Property
Cp,gas	562.19	J/mol×K	919.22	Calculated Property
Cp,gas	577.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008593; 0.0000991]	Pa×s	[370.48; 587.64]	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			-1.29033e+01
Coefficient B			2.16507e+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.			370.48
Temperature range, max.			587.64
η	0.0008593	Pa×s	370.48	Calculated Property
η	0.0006011	Pa×s	394.61	Calculated Property
η	0.0004382	Pa×s	418.74	Calculated Property
η	0.0003306	Pa×s	442.87	Calculated Property
η	0.0002568	Pa×s	467.00	Calculated Property
η	0.0002045	Pa×s	491.12	Calculated Property
η	0.0001664	Pa×s	515.25	Calculated Property
η	0.0001379	Pa×s	539.38	Calculated Property
η	0.0001161	Pa×s	563.51	Calculated Property
η	0.0000991	Pa×s	587.64	Calculated Property

Similar Compounds

Find more compounds similar to Methyl (3,4-dimethoxyphenyl)(methoxy)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

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