Chemical Properties of 3,4:7,8-DIBENZO-2,5-DIOXABICYCLO[4,2,0]OCTA-3,7-DIENE

InChI

InChI=1S/C14H10O2/c1-2-6-10-9(5-1)13-14(10)16-12-8-4-3-7-11(12)15-13/h1-8,13-14H

InChI Key

SSPWYTLOLFBHPK-UHFFFAOYSA-N

Formula

C14H10O2

SMILES

c1ccc2c(c1)OC1c3ccccc3C1O2

Molecular Weight¹

210.23

Other Names

• 3,4:7,8-Dibenzo-2,5-dioxabicyclo[4.2.0]octa-3,7-diene

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[190.68; 493.43]	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			-1.04650e+02
Coefficient B			1.37200e+00
Coefficient C			-1.17152e-03
Coefficient D			3.97600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.68	J/mol×K	273.00	Calculated Property
Cp,gas	251.71	J/mol×K	353.78	Calculated Property
Cp,gas	302.96	J/mol×K	434.56	Calculated Property
Cp,gas	345.68	J/mol×K	515.33	Calculated Property
Cp,gas	381.14	J/mol×K	596.11	Calculated Property
Cp,gas	410.59	J/mol×K	676.89	Calculated Property
Cp,gas	435.28	J/mol×K	757.67	Calculated Property
Cp,gas	456.48	J/mol×K	838.44	Calculated Property
Cp,gas	475.45	J/mol×K	919.22	Calculated Property
Cp,gas	493.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029382; 0.0018602]	Pa×s	[421.48; 626.73]	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			-7.22579e+00
Coefficient B			5.88320e+02
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.			421.48
Temperature range, max.			626.73
η	0.0029382	Pa×s	421.48	Calculated Property
η	0.0027351	Pa×s	444.29	Calculated Property
η	0.0025638	Pa×s	467.09	Calculated Property
η	0.0024178	Pa×s	489.90	Calculated Property
η	0.0022921	Pa×s	512.70	Calculated Property
η	0.0021827	Pa×s	535.51	Calculated Property
η	0.0020870	Pa×s	558.32	Calculated Property
η	0.0020024	Pa×s	581.12	Calculated Property
η	0.0019273	Pa×s	603.93	Calculated Property
η	0.0018602	Pa×s	626.73	Calculated Property

Similar Compounds

Find more compounds similar to 3,4:7,8-DIBENZO-2,5-DIOXABICYCLO[4,2,0]OCTA-3,7-DIENE.

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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