Chemical Properties of 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol (CAS 517-28-2)

InChI

InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2

InChI Key

WZUVPPKBWHMQCE-UHFFFAOYSA-N

Formula

C16H14O6

SMILES

Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2

Molecular Weight¹

302.28

CAS

517-28-2

• 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).
• 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 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	[286.98; 694.55]	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			-2.09290e+02
Coefficient B			2.49970e+00
Coefficient C			-2.83626e-03
Coefficient D			1.24040e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	286.98	J/mol×K	273.00	Calculated Property
Cp,gas	374.99	J/mol×K	353.78	Calculated Property
Cp,gas	443.16	J/mol×K	434.56	Calculated Property
Cp,gas	495.42	J/mol×K	515.33	Calculated Property
Cp,gas	535.70	J/mol×K	596.11	Calculated Property
Cp,gas	567.91	J/mol×K	676.89	Calculated Property
Cp,gas	595.98	J/mol×K	757.67	Calculated Property
Cp,gas	623.82	J/mol×K	838.44	Calculated Property
Cp,gas	655.37	J/mol×K	919.22	Calculated Property
Cp,gas	694.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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