Chemical Properties of 4-Butylbenzoic acid, 3-tetradecyl ester

InChI

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

InChI Key

ODCXTOCTWDASFI-UHFFFAOYSA-N

Formula

C25H42O2

SMILES

CCCCCCCCCCCC(CC)OC(=O)c1ccc(CCCC)cc1

Molecular Weight¹

374.60

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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 Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.14; 1196.18]	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			-1.57160e+01
Coefficient B			2.19156e+00
Coefficient C			-1.20896e-03
Coefficient D			2.29300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	497.14	J/mol×K	273.00	Calculated Property
Cp,gas	618.45	J/mol×K	353.78	Calculated Property
Cp,gas	727.16	J/mol×K	434.56	Calculated Property
Cp,gas	823.99	J/mol×K	515.33	Calculated Property
Cp,gas	909.67	J/mol×K	596.11	Calculated Property
Cp,gas	984.92	J/mol×K	676.89	Calculated Property
Cp,gas	1050.47	J/mol×K	757.67	Calculated Property
Cp,gas	1107.05	J/mol×K	838.44	Calculated Property
Cp,gas	1155.38	J/mol×K	919.22	Calculated Property
Cp,gas	1196.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009491; 0.0000539]	Pa×s	[437.78; 740.15]	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			-1.39821e+01
Coefficient B			3.07414e+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.			437.78
Temperature range, max.			740.15
η	0.0009491	Pa×s	437.78	Calculated Property
η	0.0005754	Pa×s	471.38	Calculated Property
η	0.0003728	Pa×s	504.97	Calculated Property
η	0.0002550	Pa×s	538.57	Calculated Property
η	0.0001824	Pa×s	572.17	Calculated Property
η	0.0001354	Pa×s	605.76	Calculated Property
η	0.0001037	Pa×s	639.36	Calculated Property
η	0.0000816	Pa×s	672.95	Calculated Property
η	0.0000656	Pa×s	706.55	Calculated Property
η	0.0000539	Pa×s	740.15	Calculated Property

Similar Compounds

Find more compounds similar to 4-Butylbenzoic acid, 3-tetradecyl ester.

Sources

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

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