Chemical Properties of 3-Acetoxy salicylic acid, phenyl ester

InChI

InChI=1S/C15H12O5/c1-10(16)19-13-9-5-8-12(14(13)17)15(18)20-11-6-3-2-4-7-11/h2-9,17H,1H3

InChI Key

TVWZTHFHVCLXFL-UHFFFAOYSA-N

Formula

C15H12O5

SMILES

CC(=O)Oc1cccc(C(=O)Oc2ccccc2)c1O

Molecular Weight¹

272.26

• 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).
• 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 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	[261.29; 591.74]	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			-2.23600e+01
Coefficient B			1.25652e+00
Coefficient C			-8.54720e-04
Coefficient D			2.12300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.29	J/mol×K	273.00	Calculated Property
Cp,gas	324.59	J/mol×K	353.78	Calculated Property
Cp,gas	379.69	J/mol×K	434.56	Calculated Property
Cp,gas	427.23	J/mol×K	515.33	Calculated Property
Cp,gas	467.91	J/mol×K	596.11	Calculated Property
Cp,gas	502.39	J/mol×K	676.89	Calculated Property
Cp,gas	531.34	J/mol×K	757.67	Calculated Property
Cp,gas	555.44	J/mol×K	838.44	Calculated Property
Cp,gas	575.35	J/mol×K	919.22	Calculated Property
Cp,gas	591.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001414; 0.0000089]	Pa×s	[520.55; 729.42]	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			-1.85283e+01
Coefficient B			5.03064e+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.			520.55
Temperature range, max.			729.42
η	0.0001414	Pa×s	520.55	Calculated Property
η	0.0000936	Pa×s	543.76	Calculated Property
η	0.0000641	Pa×s	566.97	Calculated Property
η	0.0000452	Pa×s	590.17	Calculated Property
η	0.0000327	Pa×s	613.38	Calculated Property
η	0.0000243	Pa×s	636.59	Calculated Property
η	0.0000184	Pa×s	659.80	Calculated Property
η	0.0000142	Pa×s	683.01	Calculated Property
η	0.0000111	Pa×s	706.22	Calculated Property
η	0.0000089	Pa×s	729.42	Calculated Property

Similar Compounds

Find more compounds similar to 3-Acetoxy salicylic acid, phenyl ester.

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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