Chemical Properties of 9H-Xanthen-9-ol, 9-phenyl- (CAS 595-38-0)

InChI

InChI=1S/C19H14O2/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,20H

InChI Key

CVZUPKFPOSRRSK-UHFFFAOYSA-N

Formula

C19H14O2

SMILES

OC1(c2ccccc2)c2ccccc2Oc2ccccc21

Molecular Weight¹

274.32

CAS

595-38-0

Other Names

• 3-chloro-2,3-dimethylpentane
• 9-Phenyl-9-xanthenol
• 9-Phenylxanthen-9-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	[249.26; 661.38]	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			-1.60000e+02
Coefficient B			1.93650e+00
Coefficient C			-1.78502e-03
Coefficient D			6.69900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.26	J/mol×K	273.00	Calculated Property
Cp,gas	331.34	J/mol×K	353.78	Calculated Property
Cp,gas	399.41	J/mol×K	434.56	Calculated Property
Cp,gas	455.58	J/mol×K	515.33	Calculated Property
Cp,gas	501.97	J/mol×K	596.11	Calculated Property
Cp,gas	540.70	J/mol×K	676.89	Calculated Property
Cp,gas	573.88	J/mol×K	757.67	Calculated Property
Cp,gas	603.65	J/mol×K	838.44	Calculated Property
Cp,gas	632.11	J/mol×K	919.22	Calculated Property
Cp,gas	661.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 9H-Xanthen-9-ol, 9-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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