Chemical Properties of Phenindione Me, #2

InChI

InChI=1S/C16H12O2/c1-18-16-13-10-6-5-9-12(13)15(17)14(16)11-7-3-2-4-8-11/h2-10H,1H3

InChI Key

KYDYZFPREQVUJP-UHFFFAOYSA-N

Formula

C16H12O2

SMILES

COC1=C(c2ccccc2)C(=O)c2ccccc21

Molecular Weight¹

236.27

• 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).
• 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	-10.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.10	kJ/mol	Joback Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-4.31		Relay (1.0) Calculated Property
logPoct/wat	3.398		Crippen Calculated Property
McVol	181.060	ml/mol	McGowan Calculated Property
Inp	[1410.00; 1410.00]
Inp	1410.00		NIST
Inp	1410.00		NIST
Tboil	641.32	K	Relay (1.0) Calculated Property
Tfus	396.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[483.47; 556.63]	J/mol×K	[734.59; 993.26]
Cp,gas	483.47	J/mol×K	734.59	Joback Calculated Property
Cp,gas	498.61	J/mol×K	777.70	Joback Calculated Property
Cp,gas	512.49	J/mol×K	820.81	Joback Calculated Property
Cp,gas	525.18	J/mol×K	863.92	Joback Calculated Property
Cp,gas	536.72	J/mol×K	907.03	Joback Calculated Property
Cp,gas	547.19	J/mol×K	950.14	Joback Calculated Property
Cp,gas	556.63	J/mol×K	993.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenindione Me, #2.

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.