Chemical Properties of Salicylic acid, butyl ether, butyl ester

InChI

InChI=1S/C15H22O3/c1-3-5-11-17-14-10-8-7-9-13(14)15(16)18-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

InChI Key

RSCOHALZSFTTRK-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

CCCCOC(=O)c1ccccc1OCCCC

Molecular Weight¹

250.34

• 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).
• I_np : Non-polar retention indices.
• 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	[300.72; 698.24]	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			2.05560e+01
Coefficient B			1.17244e+00
Coefficient C			-5.50760e-04
Coefficient D			5.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.72	J/mol×K	273.00	Calculated Property
Cp,gas	368.89	J/mol×K	353.78	Calculated Property
Cp,gas	430.64	J/mol×K	434.56	Calculated Property
Cp,gas	486.15	J/mol×K	515.33	Calculated Property
Cp,gas	535.61	J/mol×K	596.11	Calculated Property
Cp,gas	579.19	J/mol×K	676.89	Calculated Property
Cp,gas	617.06	J/mol×K	757.67	Calculated Property
Cp,gas	649.41	J/mol×K	838.44	Calculated Property
Cp,gas	676.41	J/mol×K	919.22	Calculated Property
Cp,gas	698.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014610; 0.0001335]	Pa×s	[362.31; 594.96]	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			-1.26472e+01
Coefficient B			2.21681e+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.			362.31
Temperature range, max.			594.96
η	0.0014610	Pa×s	362.31	Calculated Property
η	0.0009720	Pa×s	388.16	Calculated Property
η	0.0006805	Pa×s	414.01	Calculated Property
η	0.0004968	Pa×s	439.86	Calculated Property
η	0.0003755	Pa×s	465.71	Calculated Property
η	0.0002924	Pa×s	491.56	Calculated Property
η	0.0002334	Pa×s	517.41	Calculated Property
η	0.0001904	Pa×s	543.26	Calculated Property
η	0.0001581	Pa×s	569.11	Calculated Property
η	0.0001335	Pa×s	594.96	Calculated Property

Similar Compounds

Find more compounds similar to Salicylic acid, butyl ether, butyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.