Chemical Properties of Isoviolanthrone (CAS 128-64-3)

InChI

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

InChI Key

BSIHWSXXPBAGTC-UHFFFAOYSA-N

Formula

C34H16O2

SMILES

O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)-c1ccccc1C5=O

Molecular Weight¹

456.49

CAS

128-64-3

Other Names

• Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
• Benzadone Violet B
• C.I. Vat Violet 10
• C.I. 60000
• Carbanthrene Printing Violet 2R
• Dinaphtho(1,2,3-cd:1',2',3'-lm)perylene-9,18-dione
• Isodibenzanthrone
• Isothrene
• Isoviolanthrone A
• Izodibenzantron
• Paradone Brilliant Violet 2R
• Paradone Violet B New
• Romantrene Brilliant Violet F2R
• Romantrene Brilliant Violet F4R
• Romantrene Brilliant Violet 4R
• Romantrene Violet 2R
• NSC 5268
• Isodibenzanthrone (isoviolanthrone)

• 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_subH : Enthalpy of sublimation at a given temperature (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).
• 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

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	[1172.01; 1499.65]	J/mol×K	[1311.98; 1614.76]
Cp,gas	1172.01	J/mol×K	1311.98	Joback Calculated Property
Cp,gas	1212.56	J/mol×K	1362.44	Joback Calculated Property
Cp,gas	1257.93	J/mol×K	1412.91	Joback Calculated Property
Cp,gas	1308.73	J/mol×K	1463.37	Joback Calculated Property
Cp,gas	1365.55	J/mol×K	1513.84	Joback Calculated Property
Cp,gas	1428.99	J/mol×K	1564.30	Joback Calculated Property
Cp,gas	1499.65	J/mol×K	1614.76	Joback Calculated Property
ΔsubH	[215.50; 221.10]	kJ/mol	[537.00; 538.00]
ΔsubH	215.50	kJ/mol	537.00	NIST
ΔsubH	221.10	kJ/mol	538.00	NIST

Similar Compounds

Find more compounds similar to Isoviolanthrone.

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

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