Chemical Properties of 4-Butylbenzoic acid, tridecyl ester

InChI

InChI=1S/C24H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-21-26-24(25)23-19-17-22(18-20-23)16-6-4-2/h17-20H,3-16,21H2,1-2H3

InChI Key

NVRBFKXQEWUCOB-UHFFFAOYSA-N

Formula

C24H40O2

SMILES

CCCCCCCCCCCCCOC(=O)c1ccc(CCCC)cc1

Molecular Weight¹

360.58

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.24; 1144.06]	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			-1.31250e+01
Coefficient B			2.09064e+00
Coefficient C			-1.15136e-03
Coefficient D			2.17900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.24	J/mol×K	273.00	Calculated Property
Cp,gas	592.04	J/mol×K	353.78	Calculated Property
Cp,gas	695.83	J/mol×K	434.56	Calculated Property
Cp,gas	788.31	J/mol×K	515.33	Calculated Property
Cp,gas	870.15	J/mol×K	596.11	Calculated Property
Cp,gas	942.06	J/mol×K	676.89	Calculated Property
Cp,gas	1004.71	J/mol×K	757.67	Calculated Property
Cp,gas	1058.80	J/mol×K	838.44	Calculated Property
Cp,gas	1105.02	J/mol×K	919.22	Calculated Property
Cp,gas	1144.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008908; 0.0000669]	Pa×s	[441.51; 722.00]	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			-1.36873e+01
Coefficient B			2.94216e+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.			441.51
Temperature range, max.			722.00
η	0.0008908	Pa×s	441.51	Calculated Property
η	0.0005740	Pa×s	472.68	Calculated Property
η	0.0003906	Pa×s	503.84	Calculated Property
η	0.0002780	Pa×s	535.01	Calculated Property
η	0.0002054	Pa×s	566.17	Calculated Property
η	0.0001566	Pa×s	597.34	Calculated Property
η	0.0001227	Pa×s	628.50	Calculated Property
η	0.0000983	Pa×s	659.67	Calculated Property
η	0.0000804	Pa×s	690.83	Calculated Property
η	0.0000669	Pa×s	722.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Butylbenzoic acid, tridecyl ester.

Sources

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

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