Chemical Properties of 4-Butylbenzoic acid, tetradecyl ester

InChI

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

InChI Key

KTDIJHFLBJNYQD-UHFFFAOYSA-N

Formula

C25H42O2

SMILES

CCCCCCCCCCCCCCOC(=O)c1ccc(CCCC)cc1

Molecular Weight¹

374.61

• 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	[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-Butylbenzoic acid, tetradecyl ester.

Sources

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

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