Chemical Properties of Phenindione Me, #3

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	150.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-53.92	kJ/mol	Joback Calculated Property
ΔfusH°	23.10	kJ/mol	Joback Calculated Property
ΔvapH°	64.92	kJ/mol	Joback Calculated Property
log10WS	-4.21		Crippen Calculated Property
logPoct/wat	3.398		Crippen Calculated Property
McVol	181.060	ml/mol	McGowan Calculated Property
Pc	2712.67	kPa	Joback Calculated Property
Inp	[1481.00; 1481.00]
Inp	1481.00		NIST
Inp	1481.00		NIST
Tboil	734.59	K	Joback Calculated Property
Tc	993.26	K	Joback Calculated Property
Tfus	473.87	K	Joback Calculated Property
Vc	0.684	m3/kmol	Joback Calculated Property

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, #3.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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