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

InChI

InChI=1S/C10H10O5/c1-5-8(10(12)13-2)6(11)3-7-9(5)15-4-14-7/h3,11H,4H2,1-2H3

InChI Key

VPYDVSWMSWPSKV-UHFFFAOYSA-N

Formula

C10H10O5

SMILES

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

Molecular Weight¹

210.19

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.70	kJ/mol	Joback Calculated Property
logPoct/wat	1.216		Crippen Calculated Property
McVol	142.190	ml/mol	McGowan Calculated Property
Inp	[1618.00; 1626.00]
Inp	1618.00		NIST
Inp	1626.00		NIST
Inp	1626.00		NIST
Tfus	405.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[210.25; 450.24]	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			-2.26000e+00
Coefficient B			9.67640e-01
Coefficient C			-7.59840e-04
Coefficient D			2.44700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.25	J/mol×K	273.00	Calculated Property
Cp,gas	255.80	J/mol×K	353.78	Calculated Property
Cp,gas	294.83	J/mol×K	434.56	Calculated Property
Cp,gas	328.10	J/mol×K	515.33	Calculated Property
Cp,gas	356.39	J/mol×K	596.11	Calculated Property
Cp,gas	380.47	J/mol×K	676.89	Calculated Property
Cp,gas	401.13	J/mol×K	757.67	Calculated Property
Cp,gas	419.12	J/mol×K	838.44	Calculated Property
Cp,gas	435.24	J/mol×K	919.22	Calculated Property
Cp,gas	450.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003681; 0.0000566]	Pa×s	[495.81; 635.73]	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			-1.64180e+01
Coefficient B			4.21977e+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.			495.81
Temperature range, max.			635.73
η	0.0003681	Pa×s	495.81	Calculated Property
η	0.0002842	Pa×s	511.36	Calculated Property
η	0.0002228	Pa×s	526.90	Calculated Property
η	0.0001771	Pa×s	542.45	Calculated Property
η	0.0001426	Pa×s	557.99	Calculated Property
η	0.0001162	Pa×s	573.54	Calculated Property
η	0.0000957	Pa×s	589.09	Calculated Property
η	0.0000796	Pa×s	604.63	Calculated Property
η	0.0000668	Pa×s	620.18	Calculated Property
η	0.0000566	Pa×s	635.73	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 6-hydroxy-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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