Chemical Properties of 2,6-Methano-1,4-benzodioxocin-5(6h)-one, 2,3-dihydro-6-phenyl-

InChI

InChI=1S/C17H14O3/c18-16-17(12-6-2-1-3-7-12)10-13(11-19-16)20-15-9-5-4-8-14(15)17/h1-9,13H,10-11H2

InChI Key

NLBWDTCEJFEMED-UHFFFAOYSA-N

Formula

C17H14O3

SMILES

O=C1OCC2CC1(c1ccccc1)c1ccccc1O2

Molecular Weight¹

266.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[241.93; 648.94]	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			-1.68700e+02
Coefficient B			1.94700e+00
Coefficient C			-1.80726e-03
Coefficient D			6.77900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.93	J/mol×K	273.00	Calculated Property
Cp,gas	323.93	J/mol×K	353.78	Calculated Property
Cp,gas	391.73	J/mol×K	434.56	Calculated Property
Cp,gas	447.48	J/mol×K	515.33	Calculated Property
Cp,gas	493.32	J/mol×K	596.11	Calculated Property
Cp,gas	531.40	J/mol×K	676.89	Calculated Property
Cp,gas	563.85	J/mol×K	757.67	Calculated Property
Cp,gas	592.83	J/mol×K	838.44	Calculated Property
Cp,gas	620.48	J/mol×K	919.22	Calculated Property
Cp,gas	648.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Methano-1,4-benzodioxocin-5(6h)-one, 2,3-dihydro-6-phenyl-.

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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