Chemical Properties of BENZENACETIC ACID, 3-ETHOXY-4-HYDROXY-

InChI

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

InChI Key

QVXSHYZATYQYGE-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

CCOc1cc(CC(=O)O)ccc1O

Molecular Weight¹

196.20

Other Names

• Benzeneacetic acid, 3-ethoxy-4-hydroxy-
• 3-Ethoxy-4-hydroxyphenylacetic acid

• 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).
• 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).
• 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 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	[208.83; 465.37]	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			-4.62800e+00
Coefficient B			9.57620e-01
Coefficient C			-7.02320e-04
Coefficient D			2.14700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.83	J/mol×K	273.00	Calculated Property
Cp,gas	255.76	J/mol×K	353.78	Calculated Property
Cp,gas	296.50	J/mol×K	434.56	Calculated Property
Cp,gas	331.73	J/mol×K	515.33	Calculated Property
Cp,gas	362.13	J/mol×K	596.11	Calculated Property
Cp,gas	388.37	J/mol×K	676.89	Calculated Property
Cp,gas	411.14	J/mol×K	757.67	Calculated Property
Cp,gas	431.11	J/mol×K	838.44	Calculated Property
Cp,gas	448.96	J/mol×K	919.22	Calculated Property
Cp,gas	465.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001193; 0.0000248]	Pa×s	[535.95; 654.68]	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			-1.76879e+01
Coefficient B			4.63801e+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.			535.95
Temperature range, max.			654.68
η	0.0001193	Pa×s	535.95	Calculated Property
η	0.0000969	Pa×s	549.14	Calculated Property
η	0.0000795	Pa×s	562.34	Calculated Property
η	0.0000658	Pa×s	575.53	Calculated Property
η	0.0000549	Pa×s	588.72	Calculated Property
η	0.0000462	Pa×s	601.91	Calculated Property
η	0.0000392	Pa×s	615.11	Calculated Property
η	0.0000334	Pa×s	628.30	Calculated Property
η	0.0000287	Pa×s	641.49	Calculated Property
η	0.0000248	Pa×s	654.68	Calculated Property

Similar Compounds

Find more compounds similar to BENZENACETIC ACID, 3-ETHOXY-4-HYDROXY-.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.