Chemical Properties of Phthalic acid, 3-phenoxybenzyl propyl ester

InChI

InChI=1S/C24H22O5/c1-2-15-27-23(25)21-13-6-7-14-22(21)24(26)28-17-18-9-8-12-20(16-18)29-19-10-4-3-5-11-19/h3-14,16H,2,15,17H2,1H3

InChI Key

OHOKXXFKHKPSFR-UHFFFAOYSA-N

Formula

C24H22O5

SMILES

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

Molecular Weight¹

390.43

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[396.02; 930.57]	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			-1.57270e+01
Coefficient B			1.75532e+00
Coefficient C			-9.41120e-04
Coefficient D			1.32100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.02	J/mol×K	273.00	Calculated Property
Cp,gas	493.33	J/mol×K	353.78	Calculated Property
Cp,gas	580.18	J/mol×K	434.56	Calculated Property
Cp,gas	656.99	J/mol×K	515.33	Calculated Property
Cp,gas	724.20	J/mol×K	596.11	Calculated Property
Cp,gas	782.20	J/mol×K	676.89	Calculated Property
Cp,gas	831.42	J/mol×K	757.67	Calculated Property
Cp,gas	872.28	J/mol×K	838.44	Calculated Property
Cp,gas	905.19	J/mol×K	919.22	Calculated Property
Cp,gas	930.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002333; 0.0000314]	Pa×s	[571.43; 852.97]	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			-1.44347e+01
Coefficient B			3.46955e+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.			571.43
Temperature range, max.			852.97
η	0.0002333	Pa×s	571.43	Calculated Property
η	0.0001703	Pa×s	602.71	Calculated Property
η	0.0001282	Pa×s	633.99	Calculated Property
η	0.0000991	Pa×s	665.28	Calculated Property
η	0.0000784	Pa×s	696.56	Calculated Property
η	0.0000633	Pa×s	727.84	Calculated Property
η	0.0000520	Pa×s	759.12	Calculated Property
η	0.0000434	Pa×s	790.41	Calculated Property
η	0.0000367	Pa×s	821.69	Calculated Property
η	0.0000314	Pa×s	852.97	Calculated Property

Similar Compounds

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

Sources

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

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