Chemical Properties of 11-PHENOXYUNDECANOIC ACID

InChI

InChI=1S/C17H26O3/c18-17(19)14-10-5-3-1-2-4-6-11-15-20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,18,19)

InChI Key

FRSQLPPSRJNREN-UHFFFAOYSA-N

Formula

C17H26O3

SMILES

O=C(O)CCCCCCCCCCOc1ccccc1

Molecular Weight¹

278.39

• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.89; 807.13]	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			-1.63700e+01
Coefficient B			1.52750e+00
Coefficient C			-8.93800e-04
Coefficient D			1.89800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.89	J/mol×K	273.00	Calculated Property
Cp,gas	420.56	J/mol×K	353.78	Calculated Property
Cp,gas	494.20	J/mol×K	434.56	Calculated Property
Cp,gas	559.41	J/mol×K	515.33	Calculated Property
Cp,gas	616.78	J/mol×K	596.11	Calculated Property
Cp,gas	666.92	J/mol×K	676.89	Calculated Property
Cp,gas	710.42	J/mol×K	757.67	Calculated Property
Cp,gas	747.89	J/mol×K	838.44	Calculated Property
Cp,gas	779.93	J/mol×K	919.22	Calculated Property
Cp,gas	807.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006458; 0.0001228]	Pa×s	[490.60; 688.24]	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			-1.31250e+01
Coefficient B			2.83561e+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.			490.60
Temperature range, max.			688.24
η	0.0006458	Pa×s	490.60	Calculated Property
η	0.0005041	Pa×s	512.56	Calculated Property
η	0.0004016	Pa×s	534.52	Calculated Property
η	0.0003258	Pa×s	556.48	Calculated Property
η	0.0002685	Pa×s	578.44	Calculated Property
η	0.0002244	Pa×s	600.40	Calculated Property
η	0.0001900	Pa×s	622.36	Calculated Property
η	0.0001626	Pa×s	644.32	Calculated Property
η	0.0001407	Pa×s	666.28	Calculated Property
η	0.0001228	Pa×s	688.24	Calculated Property

Similar Compounds

Find more compounds similar to 11-PHENOXYUNDECANOIC ACID.

Sources

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

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