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

C7H15Cl

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).
• P_vap : Vapor pressure (kPa).
• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.32; 701.30]	J/mol×K	[845.96; 1098.62]
Cp,gas	606.32	J/mol×K	845.96	Joback Calculated Property
Cp,gas	621.15	J/mol×K	888.07	Joback Calculated Property
Cp,gas	635.98	J/mol×K	930.18	Joback Calculated Property
Cp,gas	651.11	J/mol×K	972.29	Joback Calculated Property
Cp,gas	666.85	J/mol×K	1014.40	Joback Calculated Property
Cp,gas	683.48	J/mol×K	1056.51	Joback Calculated Property
Cp,gas	701.30	J/mol×K	1098.62	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[300.92; 458.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32451e+01
Coefficient B			-3.21672e+03
Coefficient C			-5.26700e+01
Temperature range, min.			300.92
Temperature range, max.			458.12
Pvap	1.33	kPa	300.92	Calculated Property
Pvap	3.12	kPa	318.39	Calculated Property
Pvap	6.59	kPa	335.85	Calculated Property
Pvap	12.76	kPa	353.32	Calculated Property
Pvap	22.95	kPa	370.79	Calculated Property
Pvap	38.85	kPa	388.25	Calculated Property
Pvap	62.42	kPa	405.72	Calculated Property
Pvap	95.91	kPa	423.19	Calculated Property
Pvap	141.78	kPa	440.65	Calculated Property
Pvap	202.64	kPa	458.12	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
• The Yaws Handbook of Vapor Pressure

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