Chemical Properties of 1,2,4-Trioxolane, 3,5-diphenyl- (CAS 23888-15-5)

InChI

InChI=1S/C14H12O3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10,13-14H

InChI Key

FFNQUPJQBYSJAG-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

c1ccc(C2OOC(c3ccccc3)O2)cc1

Molecular Weight¹

228.24

CAS

23888-15-5

Other Names

• Benzene, 1,1'-(1,2-ethenediyl)bis-, ozonide
• 3,5-diphenyl-1,2,4-trioxolane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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	[209.08; 553.07]	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			-8.02300e+01
Coefficient B			1.27220e+00
Coefficient C			-8.30500e-04
Coefficient D			1.91600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.08	J/mol×K	273.00	Calculated Property
Cp,gas	274.39	J/mol×K	353.78	Calculated Property
Cp,gas	331.50	J/mol×K	434.56	Calculated Property
Cp,gas	381.04	J/mol×K	515.33	Calculated Property
Cp,gas	423.61	J/mol×K	596.11	Calculated Property
Cp,gas	459.81	J/mol×K	676.89	Calculated Property
Cp,gas	490.25	J/mol×K	757.67	Calculated Property
Cp,gas	515.54	J/mol×K	838.44	Calculated Property
Cp,gas	536.28	J/mol×K	919.22	Calculated Property
Cp,gas	553.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023542; 0.0002779]	Pa×s	[386.75; 650.23]	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			-1.13246e+01
Coefficient B			2.03934e+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.			386.75
Temperature range, max.			650.23
η	0.0023542	Pa×s	386.75	Calculated Property
η	0.0016244	Pa×s	416.03	Calculated Property
η	0.0011769	Pa×s	445.30	Calculated Property
η	0.0008872	Pa×s	474.58	Calculated Property
η	0.0006912	Pa×s	503.85	Calculated Property
η	0.0005534	Pa×s	533.13	Calculated Property
η	0.0004535	Pa×s	562.40	Calculated Property
η	0.0003790	Pa×s	591.68	Calculated Property
η	0.0003222	Pa×s	620.96	Calculated Property
η	0.0002779	Pa×s	650.23	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trioxolane, 3,5-diphenyl-.

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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