Chemical Properties of p-anisic acid, heptadecyl ester

InChI

InChI=1S/C25H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(26)23-18-20-24(27-2)21-19-23/h18-21H,3-17,22H2,1-2H3

InChI Key

LNFOOKZBMMGPBM-UHFFFAOYSA-N

Formula

C25H42O3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)c1ccc(OC)cc1

Molecular Weight¹

390.61

• 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	[512.86; 1214.15]	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			1.14660e+01
Coefficient B			2.12244e+00
Coefficient C			-1.09476e-03
Coefficient D			1.75000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.86	J/mol×K	273.00	Calculated Property
Cp,gas	633.07	J/mol×K	353.78	Calculated Property
Cp,gas	741.41	J/mol×K	434.56	Calculated Property
Cp,gas	838.45	J/mol×K	515.33	Calculated Property
Cp,gas	924.72	J/mol×K	596.11	Calculated Property
Cp,gas	1000.80	J/mol×K	676.89	Calculated Property
Cp,gas	1067.23	J/mol×K	757.67	Calculated Property
Cp,gas	1124.56	J/mol×K	838.44	Calculated Property
Cp,gas	1173.35	J/mol×K	919.22	Calculated Property
Cp,gas	1214.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005297; 0.0000442]	Pa×s	[475.01; 758.11]	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			-1.41923e+01
Coefficient B			3.15841e+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.			475.01
Temperature range, max.			758.11
η	0.0005297	Pa×s	475.01	Calculated Property
η	0.0003505	Pa×s	506.47	Calculated Property
η	0.0002434	Pa×s	537.92	Calculated Property
η	0.0001760	Pa×s	569.38	Calculated Property
η	0.0001316	Pa×s	600.83	Calculated Property
η	0.0001013	Pa×s	632.29	Calculated Property
η	0.0000800	Pa×s	663.74	Calculated Property
η	0.0000645	Pa×s	695.20	Calculated Property
η	0.0000530	Pa×s	726.65	Calculated Property
η	0.0000442	Pa×s	758.11	Calculated Property

Similar Compounds

Find more compounds similar to p-anisic acid, heptadecyl ester.

Sources

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

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