Chemical Properties of p-Undecyloxybenzoic acid (CAS 15872-44-3)

InChI

InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h11-14H,2-10,15H2,1H3,(H,19,20)

InChI Key

NEJZHJHZOUISSH-UHFFFAOYSA-N

Formula

C18H28O3

SMILES

CCCCCCCCCCCOc1ccc(C(=O)O)cc1

Molecular Weight¹

292.41

CAS

15872-44-3

Other Names

• Benzoic acid, 4-(undecyloxy)-
• 4-n-undecyloxybenzoic acid

• 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).
• 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	[361.65; 855.68]	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			-2.98000e+00
Coefficient B			1.56302e+00
Coefficient C			-8.81160e-04
Coefficient D			1.76800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.65	J/mol×K	273.00	Calculated Property
Cp,gas	447.53	J/mol×K	353.78	Calculated Property
Cp,gas	524.35	J/mol×K	434.56	Calculated Property
Cp,gas	592.68	J/mol×K	515.33	Calculated Property
Cp,gas	653.09	J/mol×K	596.11	Calculated Property
Cp,gas	706.11	J/mol×K	676.89	Calculated Property
Cp,gas	752.33	J/mol×K	757.67	Calculated Property
Cp,gas	792.29	J/mol×K	838.44	Calculated Property
Cp,gas	826.55	J/mol×K	919.22	Calculated Property
Cp,gas	855.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046080; 0.0001100]	Pa×s	[369.00; 707.97]	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			-1.31808e+01
Coefficient B			2.87851e+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.			369.00
Temperature range, max.			707.97
η	0.0046080	Pa×s	369.00	Calculated Property
η	0.0022374	Pa×s	406.66	Calculated Property
η	0.0012279	Pa×s	444.33	Calculated Property
η	0.0007401	Pa×s	481.99	Calculated Property
η	0.0004801	Pa×s	519.65	Calculated Property
η	0.0003302	Pa×s	557.32	Calculated Property
η	0.0002381	Pa×s	594.98	Calculated Property
η	0.0001785	Pa×s	632.64	Calculated Property
η	0.0001382	Pa×s	670.31	Calculated Property
η	0.0001100	Pa×s	707.97	Calculated Property

Similar Compounds

Find more compounds similar to p-Undecyloxybenzoic acid.

Sources

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

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