Chemical Properties of Phthalic acid, 3-methoxybenzyl undecyl ester

InChI

InChI=1S/C27H36O5/c1-3-4-5-6-7-8-9-10-13-19-31-26(28)24-17-11-12-18-25(24)27(29)32-21-22-15-14-16-23(20-22)30-2/h11-12,14-18,20H,3-10,13,19,21H2,1-2H3

InChI Key

PAISZXYDNULBRJ-UHFFFAOYSA-N

Formula

C27H36O5

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cccc(OC)c1

Molecular Weight¹

440.57

• 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	[516.92; 1203.87]	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			1.54510e+01
Coefficient B			2.11924e+00
Coefficient C			-1.07312e-03
Coefficient D			1.42300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	516.92	J/mol×K	273.00	Calculated Property
Cp,gas	637.18	J/mol×K	353.78	Calculated Property
Cp,gas	745.41	J/mol×K	434.56	Calculated Property
Cp,gas	842.05	J/mol×K	515.33	Calculated Property
Cp,gas	927.56	J/mol×K	596.11	Calculated Property
Cp,gas	1002.39	J/mol×K	676.89	Calculated Property
Cp,gas	1066.99	J/mol×K	757.67	Calculated Property
Cp,gas	1121.80	J/mol×K	838.44	Calculated Property
Cp,gas	1167.28	J/mol×K	919.22	Calculated Property
Cp,gas	1203.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001837; 0.0000210]	Pa×s	[578.82; 873.86]	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			-1.50269e+01
Coefficient B			3.71861e+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.			578.82
Temperature range, max.			873.86
η	0.0001837	Pa×s	578.82	Calculated Property
η	0.0001302	Pa×s	611.60	Calculated Property
η	0.0000955	Pa×s	644.38	Calculated Property
η	0.0000722	Pa×s	677.17	Calculated Property
η	0.0000561	Pa×s	709.95	Calculated Property
η	0.0000445	Pa×s	742.73	Calculated Property
η	0.0000360	Pa×s	775.51	Calculated Property
η	0.0000296	Pa×s	808.30	Calculated Property
η	0.0000248	Pa×s	841.08	Calculated Property
η	0.0000210	Pa×s	873.86	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3-methoxybenzyl undecyl ester.

Sources

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

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