Chemical Properties of 4-Ethylbenzoic acid, hexadecyl ester

InChI

InChI=1S/C25H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(26)24-20-18-23(4-2)19-21-24/h18-21H,3-17,22H2,1-2H3

InChI Key

DONBQABLRPKJKA-UHFFFAOYSA-N

Formula

C25H42O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccc(CC)cc1

Molecular Weight¹

374.60

• 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	[497.46; 1195.65]	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			-1.40340e+01
Coefficient B			2.18564e+00
Coefficient C			-1.20576e-03
Coefficient D			2.29800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	497.46	J/mol×K	273.00	Calculated Property
Cp,gas	618.46	J/mol×K	353.78	Calculated Property
Cp,gas	726.91	J/mol×K	434.56	Calculated Property
Cp,gas	823.54	J/mol×K	515.33	Calculated Property
Cp,gas	909.06	J/mol×K	596.11	Calculated Property
Cp,gas	984.22	J/mol×K	676.89	Calculated Property
Cp,gas	1049.73	J/mol×K	757.67	Calculated Property
Cp,gas	1106.32	J/mol×K	838.44	Calculated Property
Cp,gas	1154.71	J/mol×K	919.22	Calculated Property
Cp,gas	1195.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007910; 0.0000586]	Pa×s	[452.78; 739.91]	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			-1.38481e+01
Coefficient B			3.03632e+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.			452.78
Temperature range, max.			739.91
η	0.0007910	Pa×s	452.78	Calculated Property
η	0.0005087	Pa×s	484.68	Calculated Property
η	0.0003455	Pa×s	516.59	Calculated Property
η	0.0002455	Pa×s	548.49	Calculated Property
η	0.0001811	Pa×s	580.40	Calculated Property
η	0.0001379	Pa×s	612.30	Calculated Property
η	0.0001078	Pa×s	644.20	Calculated Property
η	0.0000863	Pa×s	676.11	Calculated Property
η	0.0000705	Pa×s	708.01	Calculated Property
η	0.0000586	Pa×s	739.91	Calculated Property

Similar Compounds

Find more compounds similar to 4-Ethylbenzoic acid, hexadecyl ester.

Sources

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

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