Chemical Properties of 2-Phenylindane-1,3-dione

InChI

InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H

InChI Key

NFBAXHOPROOJAW-UHFFFAOYSA-N

Formula

C15H10O2

SMILES

O=C1c2ccccc2C(=O)C1c1ccccc1

Molecular Weight¹

222.24

Other Names

• 1H-Indene-1,3(2H)-dione, 2-phenyl-
• Athrombon
• Bindan
• Danedion
• Danilon
• Danilone
• Diadilan
• Dindevan
• Dineval
• Diophindane
• Emandion
• Emandione
• Fenhydren
• Fenilin
• Fenindion
• Hedulin
• 1,3-Indandione, 2-phenyl-
• Indema
• Indion
• Indon
• Phenhydren
• Phenillin
• 2-Phenyl-1,3-diketohydrindene
• Phenylen
• Phenylin
• 2-Phenylindandione
• 2-Phenyl-1,3-indandione
• Phenylindanedione
• 2-Phenyl-1,3-indanedione
• Phenylindione
• PID
• Pindione
• Rectadione
• Theradione
• Tromazal
• Trombol
• Eridione
• Phenyline
• Phenyllin
• 2-Phenylindan-1,3-dione
• 2-Phenyl-1H-indene-1,3(2H)-dione
• Cronodione
• Hemolidione
• Thrombasal
• 1,3(2H)-Indenedione, 2-phenyl-

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-68.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.45	kJ/mol	Joback Calculated Property
ΔvapH°	78.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-3.99		Relay (1.0) Calculated Property
logPoct/wat	2.849		Crippen Calculated Property
McVol	166.970	ml/mol	McGowan Calculated Property
Inp	[346.66; 2055.00]
Inp	2055.00		NIST
Inp	2055.00		NIST
Inp	346.66		NIST
Inp	347.47		NIST
Inp	2055.00		NIST
Tboil	627.33	K	Relay (1.0) Calculated Property
Tfus	446.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[461.07; 534.71]	J/mol×K	[743.32; 1020.04]
Cp,gas	461.07	J/mol×K	743.32	Joback Calculated Property
Cp,gas	477.06	J/mol×K	789.44	Joback Calculated Property
Cp,gas	491.51	J/mol×K	835.56	Joback Calculated Property
Cp,gas	504.46	J/mol×K	881.68	Joback Calculated Property
Cp,gas	515.95	J/mol×K	927.80	Joback Calculated Property
Cp,gas	526.02	J/mol×K	973.92	Joback Calculated Property
Cp,gas	534.71	J/mol×K	1020.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenylindane-1,3-dione.

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.