Chemical Properties of 9H-Fluoren-9-one, 2,4,7-trinitro-

InChI

InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H

InChI Key

VHQGURIJMFPBKS-UHFFFAOYSA-N

Formula

C13H5N3O7

SMILES

O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

Molecular Weight¹

315.20

Other Names

• 9H-Fluoren-9-one, 2,4,7-trinitro-
• Fluoren-9-one, 2,4,7-trinitro-
• TNF
• 2,4,7-Trinitrofluoren-9-one
• 2,4,7-Trinitro-9-fluorenone

• 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_fusH : Enthalpy of fusion 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).
• 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

Property	Value	Unit	Source
ΔfH°gas	62.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.42	kJ/mol	Joback Calculated Property
ΔvapH°	119.14	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	2.623		Crippen Calculated Property
McVol	189.480	ml/mol	McGowan Calculated Property
Tboil	658.93	K	Relay (1.0) Calculated Property
Tfus	[448.15; 449.00]	K
Tfus	449.00 ± 0.30	K	NIST
Tfus	449.00 ± 0.50	K	NIST
Tfus	448.15 ± 2.00	K	NIST

Cheméo can also estimate 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	[561.97; 605.71]	J/mol×K	[1101.31; 1405.24]
Cp,gas	561.97	J/mol×K	1101.31	Joback Calculated Property
Cp,gas	569.58	J/mol×K	1151.96	Joback Calculated Property
Cp,gas	576.85	J/mol×K	1202.62	Joback Calculated Property
Cp,gas	583.94	J/mol×K	1253.27	Joback Calculated Property
Cp,gas	591.01	J/mol×K	1303.93	Joback Calculated Property
Cp,gas	598.21	J/mol×K	1354.58	Joback Calculated Property
Cp,gas	605.71	J/mol×K	1405.24	Joback Calculated Property
ΔfusH	23.50	kJ/mol	449.20	NIST

Similar Compounds

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

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.