Chemical Properties of Salicylic acid, methyl carbonate

InChI

InChI=1S/C9H8O5/c1-13-9(12)14-7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)

InChI Key

IIHSMXMTENPGDE-UHFFFAOYSA-N

Formula

C9H8O5

SMILES

COC(=O)Oc1ccccc1C(=O)O

Molecular Weight¹

196.16

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.06; 399.47]	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			3.06100e+01
Coefficient B			6.53220e-01
Coefficient C			-2.96960e-04
Coefficient D			1.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.06	J/mol×K	273.00	Calculated Property
Cp,gas	225.10	J/mol×K	353.78	Calculated Property
Cp,gas	259.43	J/mol×K	434.56	Calculated Property
Cp,gas	290.10	J/mol×K	515.33	Calculated Property
Cp,gas	317.15	J/mol×K	596.11	Calculated Property
Cp,gas	340.61	J/mol×K	676.89	Calculated Property
Cp,gas	360.54	J/mol×K	757.67	Calculated Property
Cp,gas	376.97	J/mol×K	838.44	Calculated Property
Cp,gas	389.93	J/mol×K	919.22	Calculated Property
Cp,gas	399.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013463; 0.0001737]	Pa×s	[407.15; 621.06]	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			-1.25561e+01
Coefficient B			2.42079e+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.			407.15
Temperature range, max.			621.06
η	0.0013463	Pa×s	407.15	Calculated Property
η	0.0009699	Pa×s	430.92	Calculated Property
η	0.0007231	Pa×s	454.69	Calculated Property
η	0.0005550	Pa×s	478.45	Calculated Property
η	0.0004368	Pa×s	502.22	Calculated Property
η	0.0003513	Pa×s	525.99	Calculated Property
η	0.0002880	Pa×s	549.76	Calculated Property
η	0.0002399	Pa×s	573.53	Calculated Property
η	0.0002028	Pa×s	597.30	Calculated Property
η	0.0001737	Pa×s	621.06	Calculated Property

Similar Compounds

Find more compounds similar to Salicylic acid, methyl carbonate.

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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