Chemical Properties of Phthalic acid, butyl 3-phenoxybenzyl ester

InChI

InChI=1S/C25H24O5/c1-2-3-16-28-24(26)22-14-7-8-15-23(22)25(27)29-18-19-10-9-13-21(17-19)30-20-11-5-4-6-12-20/h4-15,17H,2-3,16,18H2,1H3

InChI Key

HEFFLMGZNOPKTP-UHFFFAOYSA-N

Formula

C25H24O5

SMILES

CCCCOC(=O)c1ccccc1C(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

404.46

• 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).
• 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, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.24; 982.16]	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			-1.66360e+01
Coefficient B			1.85032e+00
Coefficient C			-9.95520e-04
Coefficient D			1.44000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.24	J/mol×K	273.00	Calculated Property
Cp,gas	519.74	J/mol×K	353.78	Calculated Property
Cp,gas	611.26	J/mol×K	434.56	Calculated Property
Cp,gas	692.22	J/mol×K	515.33	Calculated Property
Cp,gas	763.11	J/mol×K	596.11	Calculated Property
Cp,gas	824.36	J/mol×K	676.89	Calculated Property
Cp,gas	876.43	J/mol×K	757.67	Calculated Property
Cp,gas	919.79	J/mol×K	838.44	Calculated Property
Cp,gas	954.88	J/mol×K	919.22	Calculated Property
Cp,gas	982.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002070; 0.0000277]	Pa×s	[582.70; 868.39]	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			-1.45984e+01
Coefficient B			3.56371e+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.			582.70
Temperature range, max.			868.39
η	0.0002070	Pa×s	582.70	Calculated Property
η	0.0001510	Pa×s	614.44	Calculated Property
η	0.0001135	Pa×s	646.19	Calculated Property
η	0.0000877	Pa×s	677.93	Calculated Property
η	0.0000693	Pa×s	709.67	Calculated Property
η	0.0000559	Pa×s	741.41	Calculated Property
η	0.0000459	Pa×s	773.16	Calculated Property
η	0.0000383	Pa×s	804.90	Calculated Property
η	0.0000323	Pa×s	836.64	Calculated Property
η	0.0000277	Pa×s	868.39	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, butyl 3-phenoxybenzyl ester.

Sources

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

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