Chemical Properties of 3,5-Dimethoxyphenylacetic acid (CAS 4670-10-4)

InChI

InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)

InChI Key

FFPAFDDLAGTGPQ-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

COc1cc(CC(=O)O)cc(OC)c1

Molecular Weight¹

196.20

CAS

4670-10-4

Other Names

• Benzeneacetic acid, 3,5-dimethoxy-

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[209.89; 458.41]	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			4.40910e+01
Coefficient B			6.80340e-01
Coefficient C			-2.67920e-04
Coefficient D			1.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.89	J/mol×K	273.00	Calculated Property
Cp,gas	251.33	J/mol×K	353.78	Calculated Property
Cp,gas	289.30	J/mol×K	434.56	Calculated Property
Cp,gas	323.80	J/mol×K	515.33	Calculated Property
Cp,gas	354.85	J/mol×K	596.11	Calculated Property
Cp,gas	382.44	J/mol×K	676.89	Calculated Property
Cp,gas	406.59	J/mol×K	757.67	Calculated Property
Cp,gas	427.29	J/mol×K	838.44	Calculated Property
Cp,gas	444.57	J/mol×K	919.22	Calculated Property
Cp,gas	458.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015939; 0.0001697]	Pa×s	[376.15; 610.33]	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			-1.22799e+01
Coefficient B			2.19606e+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.			376.15
Temperature range, max.			610.33
η	0.0015939	Pa×s	376.15	Calculated Property
η	0.0010925	Pa×s	402.17	Calculated Property
η	0.0007840	Pa×s	428.19	Calculated Property
η	0.0005844	Pa×s	454.21	Calculated Property
η	0.0004497	Pa×s	480.23	Calculated Property
η	0.0003555	Pa×s	506.25	Calculated Property
η	0.0002876	Pa×s	532.27	Calculated Property
η	0.0002373	Pa×s	558.29	Calculated Property
η	0.0001991	Pa×s	584.31	Calculated Property
η	0.0001697	Pa×s	610.33	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dimethoxyphenylacetic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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