Chemical Properties of O-(SALICYLOYLOXY)BENZOIC ACID

InChI

InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)

InChI Key

WVYADZUPLLSGPU-UHFFFAOYSA-N

Formula

C14H10O5

SMILES

O=C(Oc1ccccc1C(=O)O)c1ccccc1O

Molecular Weight¹

258.23

Other Names

• 2-Carboxyphenyl salicylate
• 2-Hydroxybenzoic acid 2-carboxyphenyl ester
• Benzoic acid, 2-hydroxy-, 2-carboxyphenyl ester
• Diacesal
• Diplosal
• Disalcid
• Disalgesic
• Disalicylic acid
• Disalyl
• Mono-gesic
• NSC-49171
• Nobacid
• SAA
• Sal Ester Sal
• Salflex
• Salical
• Salicyl salicylate
• Salicylic acid, bimolecular ester
• Salicylic acid, salicylate
• Salicyloxysalicylic acid
• Salicyloylsalicylic acid
• Salicylsalicylic acid
• Salina
• Saloxium
• Salsalate
• Salysal
• Sasapirin
• Sasapyrin
• Sasapyrine
• Sasapyrinum
• o-Salicylsalicylic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (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_c : Critical 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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.36; 542.82]	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			-4.22600e+01
Coefficient B			1.26710e+00
Coefficient C			-9.67520e-04
Coefficient D			2.85500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.36	J/mol×K	273.00	Calculated Property
Cp,gas	297.56	J/mol×K	353.78	Calculated Property
Cp,gas	349.09	J/mol×K	434.56	Calculated Property
Cp,gas	392.85	J/mol×K	515.33	Calculated Property
Cp,gas	429.74	J/mol×K	596.11	Calculated Property
Cp,gas	460.67	J/mol×K	676.89	Calculated Property
Cp,gas	486.54	J/mol×K	757.67	Calculated Property
Cp,gas	508.26	J/mol×K	838.44	Calculated Property
Cp,gas	526.71	J/mol×K	919.22	Calculated Property
Cp,gas	542.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029610; 0.0000086]	Pa×s	[420.15; 780.81]	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			-1.84742e+01
Coefficient B			5.31570e+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.			420.15
Temperature range, max.			780.81
η	0.0029610	Pa×s	420.15	Calculated Property
η	0.0009840	Pa×s	460.22	Calculated Property
η	0.0003901	Pa×s	500.30	Calculated Property
η	0.0001774	Pa×s	540.37	Calculated Property
η	0.0000900	Pa×s	580.44	Calculated Property
η	0.0000498	Pa×s	620.52	Calculated Property
η	0.0000296	Pa×s	660.59	Calculated Property
η	0.0000187	Pa×s	700.66	Calculated Property
η	0.0000124	Pa×s	740.74	Calculated Property
η	0.0000086	Pa×s	780.81	Calculated Property

Similar Compounds

Find more compounds similar to O-(SALICYLOYLOXY)BENZOIC 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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