Chemical Properties of Benzyl 2-hydroxy-6-methoxybenzoate

InChI

InChI=1S/C15H14O4/c1-18-13-9-5-8-12(16)14(13)15(17)19-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3

InChI Key

CGNJMCLXIMWKDY-UHFFFAOYSA-N

Formula

C15H14O4

SMILES

COc1cccc(O)c1C(=O)OCc1ccccc1

Molecular Weight¹

258.27

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, 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	[260.35; 602.13]	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			-2.22690e+01
Coefficient B			1.24812e+00
Coefficient C			-8.38320e-04
Coefficient D			2.14600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.35	J/mol×K	273.00	Calculated Property
Cp,gas	323.87	J/mol×K	353.78	Calculated Property
Cp,gas	379.41	J/mol×K	434.56	Calculated Property
Cp,gas	427.67	J/mol×K	515.33	Calculated Property
Cp,gas	469.31	J/mol×K	596.11	Calculated Property
Cp,gas	505.02	J/mol×K	676.89	Calculated Property
Cp,gas	535.48	J/mol×K	757.67	Calculated Property
Cp,gas	561.37	J/mol×K	838.44	Calculated Property
Cp,gas	583.36	J/mol×K	919.22	Calculated Property
Cp,gas	602.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001695; 0.0000110]	Pa×s	[500.45; 701.97]	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			-1.82000e+01
Coefficient B			4.76301e+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.			500.45
Temperature range, max.			701.97
η	0.0001695	Pa×s	500.45	Calculated Property
η	0.0001128	Pa×s	522.84	Calculated Property
η	0.0000776	Pa×s	545.23	Calculated Property
η	0.0000550	Pa×s	567.62	Calculated Property
η	0.0000400	Pa×s	590.02	Calculated Property
η	0.0000298	Pa×s	612.41	Calculated Property
η	0.0000226	Pa×s	634.80	Calculated Property
η	0.0000175	Pa×s	657.19	Calculated Property
η	0.0000138	Pa×s	679.58	Calculated Property
η	0.0000110	Pa×s	701.97	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl 2-hydroxy-6-methoxybenzoate.

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

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