Chemical Properties of Bis-(3-benzoxyphenyl) phthalate

InChI

InChI=1S/C34H26O6/c35-33(39-29-17-9-15-27(21-29)37-23-25-11-3-1-4-12-25)31-19-7-8-20-32(31)34(36)40-30-18-10-16-28(22-30)38-24-26-13-5-2-6-14-26/h1-22H,23-24H2

InChI Key

PIWMKMLXJKXBBF-UHFFFAOYSA-N

Formula

C34H26O6

SMILES

O=C(Oc1cccc(OCc2ccccc2)c1)c1ccccc1C(=O)Oc1cccc(OCc2ccccc2)c1

Molecular Weight¹

530.58

• 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).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[511.60; 1224.89]	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			-5.28280e+01
Coefficient B			2.42480e+00
Coefficient C			-1.36948e-03
Coefficient D			2.22400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	511.60	J/mol×K	273.00	Calculated Property
Cp,gas	643.46	J/mol×K	353.78	Calculated Property
Cp,gas	760.52	J/mol×K	434.56	Calculated Property
Cp,gas	863.50	J/mol×K	515.33	Calculated Property
Cp,gas	953.09	J/mol×K	596.11	Calculated Property
Cp,gas	1030.00	J/mol×K	676.89	Calculated Property
Cp,gas	1094.93	J/mol×K	757.67	Calculated Property
Cp,gas	1148.59	J/mol×K	838.44	Calculated Property
Cp,gas	1191.67	J/mol×K	919.22	Calculated Property
Cp,gas	1224.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000342; 0.0000058]	Pa×s	[771.72; 1103.62]	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			-1.61780e+01
Coefficient B			4.54882e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			771.72
Temperature range, max.			1103.62
η	0.0000342	Pa×s	771.72	Calculated Property
η	0.0000261	Pa×s	808.60	Calculated Property
η	0.0000204	Pa×s	845.48	Calculated Property
η	0.0000163	Pa×s	882.35	Calculated Property
η	0.0000133	Pa×s	919.23	Calculated Property
η	0.0000110	Pa×s	956.11	Calculated Property
η	0.0000092	Pa×s	992.99	Calculated Property
η	0.0000078	Pa×s	1029.86	Calculated Property
η	0.0000067	Pa×s	1066.74	Calculated Property
η	0.0000058	Pa×s	1103.62	Calculated Property

Similar Compounds

Find more compounds similar to Bis-(3-benzoxyphenyl) phthalate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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