Chemical Properties of Benzeneacetic acid, «alpha»-methoxy-, (.+/-.)- (CAS 7021-09-2)

InChI

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

InChI Key

DIWVBIXQCNRCFE-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COC(C(=O)O)c1ccccc1

Molecular Weight¹

166.17

CAS

7021-09-2

Other Names

• Benzeneacetic acid, «alpha»-methoxy-, (±)-
• Methoxy(phenyl)acetic acid
• MOPA
• Acetic acid, methoxyphenyl-
• NSC 5665
• 2-Methoxy-2-phenylacetic acid
• (±)-(methoxy)phenylacetic acid

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.86; 394.94]	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			-1.07800e+01
Coefficient B			7.73420e-01
Coefficient C			-4.61800e-04
Coefficient D			9.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.86	J/mol×K	273.00	Calculated Property
Cp,gas	209.21	J/mol×K	353.78	Calculated Property
Cp,gas	245.83	J/mol×K	434.56	Calculated Property
Cp,gas	278.03	J/mol×K	515.33	Calculated Property
Cp,gas	306.10	J/mol×K	596.11	Calculated Property
Cp,gas	330.34	J/mol×K	676.89	Calculated Property
Cp,gas	351.04	J/mol×K	757.67	Calculated Property
Cp,gas	368.51	J/mol×K	838.44	Calculated Property
Cp,gas	383.05	J/mol×K	919.22	Calculated Property
Cp,gas	394.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012528; 0.0002005]	Pa×s	[385.44; 577.95]	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			-1.21830e+01
Coefficient B			2.12015e+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.			385.44
Temperature range, max.			577.95
η	0.0012528	Pa×s	385.44	Calculated Property
η	0.0009382	Pa×s	406.83	Calculated Property
η	0.0007232	Pa×s	428.22	Calculated Property
η	0.0005714	Pa×s	449.61	Calculated Property
η	0.0004612	Pa×s	471.00	Calculated Property
η	0.0003793	Pa×s	492.39	Calculated Property
η	0.0003171	Pa×s	513.78	Calculated Property
η	0.0002689	Pa×s	535.17	Calculated Property
η	0.0002309	Pa×s	556.56	Calculated Property
η	0.0002005	Pa×s	577.95	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, «alpha»-methoxy-, (.+/-.)-.

Sources

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

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