Chemical Properties of Benzeneacetic acid, 3-methoxy- (CAS 1798-09-0)

InChI

InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChI Key

LEGPZHPSIPPYIO-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COc1cccc(CC(=O)O)c1

Molecular Weight¹

166.17

CAS

1798-09-0

Other Names

• Acetic acid, (m-methoxyphenyl)-
• (m-Methoxyphenyl)acetic acid
• (3-Methoxyphenyl)acetic acid
• 3-Methoxybenzeneacetic acid

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[170.73; 391.36]	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			5.20100e+00
Coefficient B			7.08020e-01
Coefficient C			-3.91560e-04
Coefficient D			6.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.73	J/mol×K	273.00	Calculated Property
Cp,gas	209.76	J/mol×K	353.78	Calculated Property
Cp,gas	244.65	J/mol×K	434.56	Calculated Property
Cp,gas	275.62	J/mol×K	515.33	Calculated Property
Cp,gas	302.88	J/mol×K	596.11	Calculated Property
Cp,gas	326.66	J/mol×K	676.89	Calculated Property
Cp,gas	347.18	J/mol×K	757.67	Calculated Property
Cp,gas	364.66	J/mol×K	838.44	Calculated Property
Cp,gas	379.31	J/mol×K	919.22	Calculated Property
Cp,gas	391.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008791; 0.0002144]	Pa×s	[412.96; 579.11]	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			-1.19550e+01
Coefficient B			2.03107e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			412.96
Temperature range, max.			579.11
η	0.0008791	Pa×s	412.96	Calculated Property
η	0.0007122	Pa×s	431.42	Calculated Property
η	0.0005871	Pa×s	449.88	Calculated Property
η	0.0004914	Pa×s	468.34	Calculated Property
η	0.0004169	Pa×s	486.81	Calculated Property
η	0.0003579	Pa×s	505.27	Calculated Property
η	0.0003106	Pa×s	523.73	Calculated Property
η	0.0002722	Pa×s	542.19	Calculated Property
η	0.0002406	Pa×s	560.65	Calculated Property
η	0.0002144	Pa×s	579.11	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 3-methoxy-.

Sources

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

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