Chemical Properties of 1,3,7,9-Tetranitrophenothiazine,5-oxide (CAS 27050-53-9)

InChI

InChI=1S/C12H5N5O9S/c18-14(19)5-1-7(16(22)23)11-9(3-5)27(26)10-4-6(15(20)21)2-8(17(24)25)12(10)13-11/h1-4,13H

InChI Key

MACCEORDICAAII-UHFFFAOYSA-N

Formula

C12H5N5O9S

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c2c(c1)S(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N2

Molecular Weight¹

395.26

CAS

27050-53-9

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[655.45; 701.51]	J/mol×K	[1257.58; 1572.83]
Cp,gas	655.45	J/mol×K	1257.58	Joback Calculated Property
Cp,gas	662.11	J/mol×K	1310.12	Joback Calculated Property
Cp,gas	668.91	J/mol×K	1362.66	Joback Calculated Property
Cp,gas	676.06	J/mol×K	1415.20	Joback Calculated Property
Cp,gas	683.74	J/mol×K	1467.74	Joback Calculated Property
Cp,gas	692.16	J/mol×K	1520.29	Joback Calculated Property
Cp,gas	701.51	J/mol×K	1572.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,7,9-Tetranitrophenothiazine,5-oxide.

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.
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