Chemical Properties of Methyl 6-methoxy-2-methyl-3,4-methylenedioxy-benzoate

InChI

InChI=1S/C11H12O5/c1-6-9(11(12)14-3)7(13-2)4-8-10(6)16-5-15-8/h4H,5H2,1-3H3

InChI Key

DYBGHVJXCODBIL-UHFFFAOYSA-N

Formula

C11H12O5

SMILES

COC(=O)c1c(OC)cc2c(c1C)OCO2

Molecular Weight¹

224.21

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.31	kJ/mol	Joback Calculated Property
logPoct/wat	1.519		Crippen Calculated Property
McVol	156.280	ml/mol	McGowan Calculated Property
Inp	[1643.00; 1644.00]
Inp	1643.00		NIST
Inp	1644.00		NIST
Inp	1644.00		NIST
Inp	1643.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[232.54; 494.87]	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			4.55500e+01
Coefficient B			7.85360e-01
Coefficient C			-3.79840e-04
Coefficient D			4.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.54	J/mol×K	273.00	Calculated Property
Cp,gas	277.79	J/mol×K	353.78	Calculated Property
Cp,gas	318.70	J/mol×K	434.56	Calculated Property
Cp,gas	355.39	J/mol×K	515.33	Calculated Property
Cp,gas	388.01	J/mol×K	596.11	Calculated Property
Cp,gas	416.70	J/mol×K	676.89	Calculated Property
Cp,gas	441.59	J/mol×K	757.67	Calculated Property
Cp,gas	462.82	J/mol×K	838.44	Calculated Property
Cp,gas	480.54	J/mol×K	919.22	Calculated Property
Cp,gas	494.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011226; 0.0003205]	Pa×s	[430.11; 604.09]	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			-1.11444e+01
Coefficient B			1.87198e+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.			430.11
Temperature range, max.			604.09
η	0.0011226	Pa×s	430.11	Calculated Property
η	0.0009310	Pa×s	449.44	Calculated Property
η	0.0007840	Pa×s	468.77	Calculated Property
η	0.0006694	Pa×s	488.10	Calculated Property
η	0.0005784	Pa×s	507.43	Calculated Property
η	0.0005051	Pa×s	526.77	Calculated Property
η	0.0004454	Pa×s	546.10	Calculated Property
η	0.0003962	Pa×s	565.43	Calculated Property
η	0.0003551	Pa×s	584.76	Calculated Property
η	0.0003205	Pa×s	604.09	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 6-methoxy-2-methyl-3,4-methylenedioxy-benzoate.

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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