Chemical Properties of 9H-Fluoren-9-one, 2,4,5,7-tetranitro- (CAS 746-53-2)

InChI

InChI=1S/C13H4N4O9/c18-13-7-1-5(14(19)20)3-9(16(23)24)11(7)12-8(13)2-6(15(21)22)4-10(12)17(25)26/h1-4H

InChI Key

JOERSAVCLPYNIZ-UHFFFAOYSA-N

Formula

C13H4N4O9

SMILES

O=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

Molecular Weight¹

360.19

CAS

746-53-2

Other Names

• Fluoren-9-one, 2,4,5,7-tetranitro-
• 2,4,5,7-Tetranitro-9-fluorenone
• 2,4,5,7-Tetranitrofluoren-9-one
• 2,4,5,7-Tetranitrofluorenone
• Tetranitrofluorenone
• 9H-Fluoren-9-one, tetranitro-
• 2,4,5,7-Tetranitro-9H-fluoren-9-one

• 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°	337.89	kJ/mol	Joback Calculated Property
ΔfH°gas	17.31	kJ/mol	Joback Calculated Property
ΔfusH°	61.39	kJ/mol	Joback Calculated Property
ΔvapH°	123.55	kJ/mol	Joback Calculated Property
log10WS	-6.88		Crippen Calculated Property
logPoct/wat	2.531		Crippen Calculated Property
McVol	206.900	ml/mol	McGowan Calculated Property
Pc	3468.36	kPa	Joback Calculated Property
Inp	[486.49; 486.49]
Inp	486.49		NIST
Inp	486.49		NIST
Tboil	1258.13	K	Joback Calculated Property
Tc	1573.93	K	Joback Calculated Property
Tfus	1036.11	K	Joback Calculated Property
Vc	0.857	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.42; 669.34]	J/mol×K	[1258.13; 1573.93]
Cp,gas	626.42	J/mol×K	1258.13	Joback Calculated Property
Cp,gas	633.00	J/mol×K	1310.76	Joback Calculated Property
Cp,gas	639.58	J/mol×K	1363.40	Joback Calculated Property
Cp,gas	646.33	J/mol×K	1416.03	Joback Calculated Property
Cp,gas	653.43	J/mol×K	1468.66	Joback Calculated Property
Cp,gas	661.04	J/mol×K	1521.30	Joback Calculated Property
Cp,gas	669.34	J/mol×K	1573.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluoren-9-one, 2,4,5,7-tetranitro-.

Sources

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

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