Chemical Properties of Benzeneacetic acid, «alpha»,4-dihydroxy-3-methoxy-, methyl ester (CAS 2911-74-2)

InChI

InChI=1S/C10H12O5/c1-14-8-5-6(3-4-7(8)11)9(12)10(13)15-2/h3-5,9,11-12H,1-2H3

InChI Key

XPQNHALAUGGUJN-UHFFFAOYSA-N

Formula

C10H12O5

SMILES

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

Molecular Weight¹

212.20

CAS

2911-74-2

Other Names

• Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester
• Methyl hydroxy(4-hydroxy-3-methoxyphenyl)acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.10; 469.97]	J/mol×K	[730.93; 941.28]
Cp,gas	419.10	J/mol×K	730.93	Joback Calculated Property
Cp,gas	428.88	J/mol×K	765.99	Joback Calculated Property
Cp,gas	438.09	J/mol×K	801.05	Joback Calculated Property
Cp,gas	446.77	J/mol×K	836.11	Joback Calculated Property
Cp,gas	454.95	J/mol×K	871.16	Joback Calculated Property
Cp,gas	462.68	J/mol×K	906.22	Joback Calculated Property
Cp,gas	469.97	J/mol×K	941.28	Joback Calculated Property
η	[0.0000029; 0.0001497]	Pa×s	[493.33; 730.93]
η	0.0001497	Pa×s	493.33	Joback Calculated Property
η	0.0000607	Pa×s	532.93	Joback Calculated Property
η	0.0000279	Pa×s	572.53	Joback Calculated Property
η	0.0000142	Pa×s	612.13	Joback Calculated Property
η	0.0000078	Pa×s	651.73	Joback Calculated Property
η	0.0000046	Pa×s	691.33	Joback Calculated Property
η	0.0000029	Pa×s	730.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, «alpha»,4-dihydroxy-3-methoxy-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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