Chemical Properties of violanthrene-5,10-dione (CAS 116-71-2)

InChI

InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H

InChI Key

YKSGNOMLAIJTLT-UHFFFAOYSA-N

Formula

C34H16O2

SMILES

O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccccc1-5

Molecular Weight¹

456.49

CAS

116-71-2

Other Names

• Dibenzanthrone (violanthrone)

• ω : Acentric Factor.
• 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_subH : Enthalpy of sublimation at a given temperature (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).
• P_c : Critical Pressure (kPa).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1171.86; 1499.29]	J/mol×K	[1311.78; 1614.52]
Cp,gas	1171.86	J/mol×K	1311.78	Joback Calculated Property
Cp,gas	1212.38	J/mol×K	1362.24	Joback Calculated Property
Cp,gas	1257.73	J/mol×K	1412.69	Joback Calculated Property
Cp,gas	1308.49	J/mol×K	1463.15	Joback Calculated Property
Cp,gas	1365.28	J/mol×K	1513.61	Joback Calculated Property
Cp,gas	1428.68	J/mol×K	1564.06	Joback Calculated Property
Cp,gas	1499.29	J/mol×K	1614.52	Joback Calculated Property
ΔsubH	[202.90; 208.80]	kJ/mol	[530.50; 542.00]
ΔsubH	208.80	kJ/mol	530.50	NIST
ΔsubH	202.90	kJ/mol	542.00	NIST

Similar Compounds

Find more compounds similar to violanthrene-5,10-dione.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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