Chemical Properties of Diphenacyl isophthalate (CAS 116345-97-2)

InChI

InChI=1S/C24H18O6/c25-21(17-8-3-1-4-9-17)15-29-23(27)19-12-7-13-20(14-19)24(28)30-16-22(26)18-10-5-2-6-11-18/h1-14H,15-16H2

InChI Key

NWTODHNVXLOHFQ-UHFFFAOYSA-N

Formula

C24H18O6

SMILES

O=C(COC(=O)c1cccc(C(=O)OCC(=O)c2ccccc2)c1)c1ccccc1

Molecular Weight¹

402.40

CAS

116345-97-2

• 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).
• 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	[379.92; 893.15]	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			-4.08080e+01
Coefficient B			1.82200e+00
Coefficient C			-1.08176e-03
Coefficient D			1.93720e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.92	J/mol×K	273.00	Calculated Property
Cp,gas	476.96	J/mol×K	353.78	Calculated Property
Cp,gas	562.57	J/mol×K	434.56	Calculated Property
Cp,gas	637.36	J/mol×K	515.33	Calculated Property
Cp,gas	701.94	J/mol×K	596.11	Calculated Property
Cp,gas	756.92	J/mol×K	676.89	Calculated Property
Cp,gas	802.92	J/mol×K	757.67	Calculated Property
Cp,gas	840.55	J/mol×K	838.44	Calculated Property
Cp,gas	870.43	J/mol×K	919.22	Calculated Property
Cp,gas	893.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002481; 0.0000381]	Pa×s	[636.54; 917.98]	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			-1.44145e+01
Coefficient B			3.89110e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			636.54
Temperature range, max.			917.98
η	0.0002481	Pa×s	636.54	Calculated Property
η	0.0001863	Pa×s	667.81	Calculated Property
η	0.0001436	Pa×s	699.08	Calculated Property
η	0.0001131	Pa×s	730.35	Calculated Property
η	0.0000909	Pa×s	761.63	Calculated Property
η	0.0000743	Pa×s	792.90	Calculated Property
η	0.0000617	Pa×s	824.17	Calculated Property
η	0.0000519	Pa×s	855.44	Calculated Property
η	0.0000442	Pa×s	886.71	Calculated Property
η	0.0000381	Pa×s	917.98	Calculated Property

Similar Compounds

Find more compounds similar to Diphenacyl isophthalate.

Sources

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

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