Chemical Properties of Mandelic acid, 3,4-dimethoxy-, methyl ester (CAS 2911-73-1)

InChI

InChI=1S/C11H14O5/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6,10,12H,1-3H3

InChI Key

GLMSKFAHFLOMQJ-UHFFFAOYSA-N

Formula

C11H14O5

SMILES

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

Molecular Weight¹

226.23

CAS

2911-73-1

Other Names

• Methyl «alpha»-hydroxy-«alpha»-(3,4-dimethoxyphenyl)acetate
• Methyl (3,4-dimethoxyphenyl)(hydroxy)acetate

• 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

Property	Value	Unit	Source
ΔfusH°	24.82	kJ/mol	Joback Calculated Property
log10WS	-0.87		Relay (1.0) Calculated Property
logPoct/wat	0.910		Crippen Calculated Property
McVol	167.140	ml/mol	McGowan Calculated Property
Inp	[1686.00; 1700.10]
Inp	1700.10		NIST
Inp	1686.00		NIST
Tboil	563.83	K	Relay (1.0) Calculated Property
Tfus	361.48	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.41; 503.50]	J/mol×K	[682.72; 879.11]
Cp,gas	444.41	J/mol×K	682.72	Joback Calculated Property
Cp,gas	456.02	J/mol×K	715.45	Joback Calculated Property
Cp,gas	466.95	J/mol×K	748.18	Joback Calculated Property
Cp,gas	477.17	J/mol×K	780.91	Joback Calculated Property
Cp,gas	486.68	J/mol×K	813.64	Joback Calculated Property
Cp,gas	495.46	J/mol×K	846.38	Joback Calculated Property
Cp,gas	503.50	J/mol×K	879.11	Joback Calculated Property
η	[0.0000264; 0.0012387]	Pa×s	[397.80; 682.72]
η	0.0012387	Pa×s	397.80	Joback Calculated Property
η	0.0004633	Pa×s	445.29	Joback Calculated Property
η	0.0002094	Pa×s	492.77	Joback Calculated Property
η	0.0001089	Pa×s	540.26	Joback Calculated Property
η	0.0000629	Pa×s	587.75	Joback Calculated Property
η	0.0000394	Pa×s	635.23	Joback Calculated Property
η	0.0000264	Pa×s	682.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Mandelic acid, 3,4-dimethoxy-, methyl ester.

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.
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