Chemical Properties of 4-Octyloxybenzoic acid (CAS 2493-84-7)

InChI

InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)

InChI Key

IALWCYFULVHLEC-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

CCCCCCCCOc1ccc(C(=O)O)cc1

Molecular Weight¹

250.33

CAS

2493-84-7

Other Names

• 4-n-Octyloxybenzoic acid
• Benzoic acid, 4-(octyloxy)-
• Benzoic acid, p-(octyloxy)-
• p-Octoxybenzoic acid
• p-Octyloxybenzoic acid
• p-n-Octyloxybenzoic 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_subH° : Enthalpy of sublimation 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	[298.01; 700.91]	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			-2.53000e-01
Coefficient B			1.27802e+00
Coefficient C			-7.17960e-04
Coefficient D			1.41100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.01	J/mol×K	273.00	Calculated Property
Cp,gas	368.27	J/mol×K	353.78	Calculated Property
Cp,gas	431.12	J/mol×K	434.56	Calculated Property
Cp,gas	487.00	J/mol×K	515.33	Calculated Property
Cp,gas	536.35	J/mol×K	596.11	Calculated Property
Cp,gas	579.63	J/mol×K	676.89	Calculated Property
Cp,gas	617.28	J/mol×K	757.67	Calculated Property
Cp,gas	649.74	J/mol×K	838.44	Calculated Property
Cp,gas	677.47	J/mol×K	919.22	Calculated Property
Cp,gas	700.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006508; 0.0001480]	Pa×s	[480.58; 662.14]	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			-1.27392e+01
Coefficient B			2.59603e+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.			480.58
Temperature range, max.			662.14
η	0.0006508	Pa×s	480.58	Calculated Property
η	0.0005235	Pa×s	500.75	Calculated Property
η	0.0004283	Pa×s	520.93	Calculated Property
η	0.0003557	Pa×s	541.10	Calculated Property
η	0.0002993	Pa×s	561.27	Calculated Property
η	0.0002550	Pa×s	581.45	Calculated Property
η	0.0002195	Pa×s	601.62	Calculated Property
η	0.0001908	Pa×s	621.79	Calculated Property
η	0.0001674	Pa×s	641.97	Calculated Property
η	0.0001480	Pa×s	662.14	Calculated Property

Similar Compounds

Find more compounds similar to 4-Octyloxybenzoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental standard molar enthalpies of formation of some 4-alkoxybenzoic acids
• Thermodynamic Study of 4-n-Alkyloxybenzoic Acids
• Joback Method
• McGowan Method
• NIST Webbook

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