Chemical Properties of Benzenemethanol, «alpha»-phenyl-«alpha»-(2-phenylethynyl)- (CAS 1522-13-0)

InChI

InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H

InChI Key

VWRQCJRTHKUVNF-UHFFFAOYSA-N

Formula

C21H16O

SMILES

OC(C#Cc1ccccc1)(c1ccccc1)c1ccccc1

Molecular Weight¹

284.35

CAS

1522-13-0

Other Names

• 1,1,3-triphenylpropargyl alcohol
• Diphenyl(phenylethynyl)carbinol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[273.34; 706.18]	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			-1.19540e+02
Coefficient B			1.77210e+00
Coefficient C			-1.32226e-03
Coefficient D			3.75880e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.34	J/mol×K	273.00	Calculated Property
Cp,gas	358.54	J/mol×K	353.78	Calculated Property
Cp,gas	431.69	J/mol×K	434.56	Calculated Property
Cp,gas	493.97	J/mol×K	515.33	Calculated Property
Cp,gas	546.59	J/mol×K	596.11	Calculated Property
Cp,gas	590.72	J/mol×K	676.89	Calculated Property
Cp,gas	627.55	J/mol×K	757.67	Calculated Property
Cp,gas	658.28	J/mol×K	838.44	Calculated Property
Cp,gas	684.10	J/mol×K	919.22	Calculated Property
Cp,gas	706.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, «alpha»-phenyl-«alpha»-(2-phenylethynyl)-.

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)
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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