Chemical Properties of 3-Hydroxy-4,5-dimethoxybenzoic acid (CAS 1916-08-1)

InChI

InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)

InChI Key

WFIBQVFJXGQICQ-UHFFFAOYSA-N

Formula

C9H10O5

SMILES

COc1cc(C(=O)O)cc(O)c1OC

Molecular Weight¹

198.17

CAS

1916-08-1

Other Names

• 3,4-Dimethoxy-5-hydroxy benzoic acid
• 5-Hydroxy veratric acid
• 5-Hydroxy-3,4-dimethoxybenzoic acid
• Benzoic acid, 3-hydroxy-4,5-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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[205.57; 429.24]	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			3.60800e+01
Coefficient B			7.39940e-01
Coefficient C			-4.69880e-04
Coefficient D			1.23100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.57	J/mol×K	273.00	Calculated Property
Cp,gas	244.50	J/mol×K	353.78	Calculated Property
Cp,gas	279.00	J/mol×K	434.56	Calculated Property
Cp,gas	309.46	J/mol×K	515.33	Calculated Property
Cp,gas	336.27	J/mol×K	596.11	Calculated Property
Cp,gas	359.83	J/mol×K	676.89	Calculated Property
Cp,gas	380.51	J/mol×K	757.67	Calculated Property
Cp,gas	398.72	J/mol×K	838.44	Calculated Property
Cp,gas	414.83	J/mol×K	919.22	Calculated Property
Cp,gas	429.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003619; 0.0000210]	Pa×s	[468.65; 659.20]	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			-1.77709e+01
Coefficient B			4.61468e+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.			468.65
Temperature range, max.			659.20
η	0.0003619	Pa×s	468.65	Calculated Property
η	0.0002365	Pa×s	489.82	Calculated Property
η	0.0001600	Pa×s	510.99	Calculated Property
η	0.0001117	Pa×s	532.17	Calculated Property
η	0.0000802	Pa×s	553.34	Calculated Property
η	0.0000590	Pa×s	574.51	Calculated Property
η	0.0000443	Pa×s	595.68	Calculated Property
η	0.0000340	Pa×s	616.85	Calculated Property
η	0.0000265	Pa×s	638.03	Calculated Property
η	0.0000210	Pa×s	659.20	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxy-4,5-dimethoxybenzoic 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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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