Chemical Properties of Salicylic acid, p-octylphenyl ester

InChI

InChI=1S/C21H26O3/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-21(23)19-11-8-9-12-20(19)22/h8-9,11-16,22H,2-7,10H2,1H3

InChI Key

VNFXPOAMRORRJJ-UHFFFAOYSA-N

Formula

C21H26O3

SMILES

CCCCCCCCc1ccc(OC(=O)c2ccccc2O)cc1

Molecular Weight¹

326.44

• 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	[372.23; 893.18]	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			-5.32230e+01
Coefficient B			1.88132e+00
Coefficient C			-1.27572e-03
Coefficient D			3.40800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.23	J/mol×K	273.00	Calculated Property
Cp,gas	467.77	J/mol×K	353.78	Calculated Property
Cp,gas	551.38	J/mol×K	434.56	Calculated Property
Cp,gas	624.13	J/mol×K	515.33	Calculated Property
Cp,gas	687.12	J/mol×K	596.11	Calculated Property
Cp,gas	741.41	J/mol×K	676.89	Calculated Property
Cp,gas	788.08	J/mol×K	757.67	Calculated Property
Cp,gas	828.22	J/mol×K	838.44	Calculated Property
Cp,gas	862.89	J/mol×K	919.22	Calculated Property
Cp,gas	893.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000974; 0.0000060]	Pa×s	[545.84; 770.62]	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			-1.87738e+01
Coefficient B			5.20588e+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.			545.84
Temperature range, max.			770.62
η	0.0000974	Pa×s	545.84	Calculated Property
η	0.0000642	Pa×s	570.82	Calculated Property
η	0.0000438	Pa×s	595.79	Calculated Property
η	0.0000308	Pa×s	620.77	Calculated Property
η	0.0000223	Pa×s	645.74	Calculated Property
η	0.0000165	Pa×s	670.72	Calculated Property
η	0.0000125	Pa×s	695.69	Calculated Property
η	0.0000096	Pa×s	720.67	Calculated Property
η	0.0000076	Pa×s	745.64	Calculated Property
η	0.0000060	Pa×s	770.62	Calculated Property

Similar Compounds

Find more compounds similar to Salicylic acid, p-octylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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