Chemical Properties of 3-Phenyl-2-benzofuranone (CAS 3117-37-1)

InChI

InChI=1S/C14H10O2/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9,13H

InChI Key

NANGQJICIOUURV-UHFFFAOYSA-N

Formula

C14H10O2

SMILES

O=C1Oc2ccccc2C1c1ccccc1

Molecular Weight¹

210.23

CAS

3117-37-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	[193.19; 485.80]	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			-7.79400e+01
Coefficient B			1.23180e+00
Coefficient C			-9.51560e-04
Coefficient D			2.83500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.19	J/mol×K	273.00	Calculated Property
Cp,gas	251.30	J/mol×K	353.78	Calculated Property
Cp,gas	300.92	J/mol×K	434.56	Calculated Property
Cp,gas	342.94	J/mol×K	515.33	Calculated Property
Cp,gas	378.27	J/mol×K	596.11	Calculated Property
Cp,gas	407.79	J/mol×K	676.89	Calculated Property
Cp,gas	432.41	J/mol×K	757.67	Calculated Property
Cp,gas	453.02	J/mol×K	838.44	Calculated Property
Cp,gas	470.52	J/mol×K	919.22	Calculated Property
Cp,gas	485.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018729; 0.0006277]	Pa×s	[380.21; 614.09]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.15079e+00
Coefficient B			1.09140e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			380.21
Temperature range, max.			614.09
η	0.0018729	Pa×s	380.21	Calculated Property
η	0.0015587	Pa×s	406.20	Calculated Property
η	0.0013262	Pa×s	432.18	Calculated Property
η	0.0011492	Pa×s	458.17	Calculated Property
η	0.0010113	Pa×s	484.15	Calculated Property
η	0.0009016	Pa×s	510.14	Calculated Property
η	0.0008128	Pa×s	536.13	Calculated Property
η	0.0007398	Pa×s	562.11	Calculated Property
η	0.0006789	Pa×s	588.10	Calculated Property
η	0.0006277	Pa×s	614.09	Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenyl-2-benzofuranone.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.