Chemical Properties of 2-Phenoxyethyl undecanoate

InChI

InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-12-15-19(20)22-17-16-21-18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3

InChI Key

YHLMXXACBOHIQC-UHFFFAOYSA-N

Formula

C19H30O3

SMILES

CCCCCCCCCCC(=O)OCCOc1ccccc1

Molecular Weight¹

306.45

• 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).
• 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 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	[383.03; 907.64]	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			2.62100e+00
Coefficient B			1.61192e+00
Coefficient C			-8.35400e-04
Coefficient D			1.28500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.03	J/mol×K	273.00	Calculated Property
Cp,gas	474.01	J/mol×K	353.78	Calculated Property
Cp,gas	555.88	J/mol×K	434.56	Calculated Property
Cp,gas	629.03	J/mol×K	515.33	Calculated Property
Cp,gas	693.87	J/mol×K	596.11	Calculated Property
Cp,gas	750.80	J/mol×K	676.89	Calculated Property
Cp,gas	800.24	J/mol×K	757.67	Calculated Property
Cp,gas	842.59	J/mol×K	838.44	Calculated Property
Cp,gas	878.25	J/mol×K	919.22	Calculated Property
Cp,gas	907.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013106; 0.0000938]	Pa×s	[394.87; 651.28]	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			-1.33350e+01
Coefficient B			2.64471e+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.			394.87
Temperature range, max.			651.28
η	0.0013106	Pa×s	394.87	Calculated Property
η	0.0008351	Pa×s	423.36	Calculated Property
η	0.0005632	Pa×s	451.85	Calculated Property
η	0.0003980	Pa×s	480.34	Calculated Property
η	0.0002924	Pa×s	508.83	Calculated Property
η	0.0002220	Pa×s	537.32	Calculated Property
η	0.0001733	Pa×s	565.81	Calculated Property
η	0.0001385	Pa×s	594.30	Calculated Property
η	0.0001130	Pa×s	622.79	Calculated Property
η	0.0000938	Pa×s	651.28	Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenoxyethyl undecanoate.

Sources

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

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