Chemical Properties of Phthalic acid, octyl 3-phenoxybenzyl ester

InChI

InChI=1S/C29H32O5/c1-2-3-4-5-6-12-20-32-28(30)26-18-10-11-19-27(26)29(31)33-22-23-14-13-17-25(21-23)34-24-15-8-7-9-16-24/h7-11,13-19,21H,2-6,12,20,22H2,1H3

InChI Key

KIOWZXIIYHIMSG-UHFFFAOYSA-N

Formula

C29H32O5

SMILES

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

Molecular Weight¹

460.57

• 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).
• 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	[502.09; 1188.53]	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			-2.02720e+01
Coefficient B			2.23032e+00
Coefficient C			-1.21312e-03
Coefficient D			1.91600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	502.09	J/mol×K	273.00	Calculated Property
Cp,gas	625.42	J/mol×K	353.78	Calculated Property
Cp,gas	735.57	J/mol×K	434.56	Calculated Property
Cp,gas	833.14	J/mol×K	515.33	Calculated Property
Cp,gas	918.75	J/mol×K	596.11	Calculated Property
Cp,gas	993.00	J/mol×K	676.89	Calculated Property
Cp,gas	1056.50	J/mol×K	757.67	Calculated Property
Cp,gas	1109.85	J/mol×K	838.44	Calculated Property
Cp,gas	1153.66	J/mol×K	919.22	Calculated Property
Cp,gas	1188.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001249; 0.0000158]	Pa×s	[627.78; 936.60]	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			-1.52645e+01
Coefficient B			3.94035e+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.			627.78
Temperature range, max.			936.60
η	0.0001249	Pa×s	627.78	Calculated Property
η	0.0000902	Pa×s	662.09	Calculated Property
η	0.0000673	Pa×s	696.41	Calculated Property
η	0.0000516	Pa×s	730.72	Calculated Property
η	0.0000405	Pa×s	765.04	Calculated Property
η	0.0000325	Pa×s	799.35	Calculated Property
η	0.0000265	Pa×s	833.66	Calculated Property
η	0.0000220	Pa×s	867.98	Calculated Property
η	0.0000185	Pa×s	902.29	Calculated Property
η	0.0000158	Pa×s	936.60	Calculated Property

Similar Compounds

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

Sources

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

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