Chemical Properties of (R)-(-)-«alpha»-Methoxyphenylacetic acid (CAS 3966-32-3)

InChI

InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/t8-/m0/s1

InChI Key

DIWVBIXQCNRCFE-QMMMGPOBSA-N

Formula

C9H10O3

SMILES

COC(C(=O)O)c1ccccc1

Molecular Weight¹

166.17

CAS

3966-32-3

Other Names

• (+)-2-methoxy-2-phenylacetic acid
• (R)-(-)-alpha-methoxyphenylacetic acid
• (S)-.alpha.-methoxybenzeneacetic acid
• (S)-2-methoxy-2-phenylacetic acid
• Benzeneacetic acid, «alpha»-methoxy-, (R)-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ρ_s : Solid Density (kg/m³).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.25; 365.95]	J/mol×K	[599.69; 825.65]
Cp,gas	307.25	J/mol×K	599.69	Joback Calculated Property
Cp,gas	318.93	J/mol×K	637.35	Joback Calculated Property
Cp,gas	329.81	J/mol×K	675.01	Joback Calculated Property
Cp,gas	339.93	J/mol×K	712.67	Joback Calculated Property
Cp,gas	349.30	J/mol×K	750.33	Joback Calculated Property
Cp,gas	357.96	J/mol×K	787.99	Joback Calculated Property
Cp,gas	365.95	J/mol×K	825.65	Joback Calculated Property
η	[0.0001756; 0.0012528]	Pa×s	[385.44; 599.69]
η	0.0012528	Pa×s	385.44	Joback Calculated Property
η	0.0007859	Pa×s	421.15	Joback Calculated Property
η	0.0005302	Pa×s	456.86	Joback Calculated Property
η	0.0003787	Pa×s	492.57	Joback Calculated Property
η	0.0002831	Pa×s	528.27	Joback Calculated Property
η	0.0002196	Pa×s	563.98	Joback Calculated Property
η	0.0001756	Pa×s	599.69	Joback Calculated Property
ρs	1311.00	kg/m3	103.00	Structural, analytical and DSC references to resolution of 2-methoxy-2-phenylacetic acid with chiral 1-cyclohexylethylamines through gas-antisolvent precipitation

Similar Compounds

Find more compounds similar to (R)-(-)-«alpha»-Methoxyphenylacetic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Structural, analytical and DSC references to resolution of 2-methoxy-2-phenylacetic acid with chiral 1-cyclohexylethylamines through gas-antisolvent precipitation
• Joback Method
• McGowan Method
• NIST Webbook

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