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_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).
• 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	[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

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

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