Chemical Properties of 9H-Fluoren-9-one, 3-nitro- (CAS 42135-22-8)

InChI

InChI=1S/C13H7NO3/c15-13-10-4-2-1-3-9(10)12-7-8(14(16)17)5-6-11(12)13/h1-7H

InChI Key

GLVSVKSIYXDZHY-UHFFFAOYSA-N

Formula

C13H7NO3

SMILES

O=C1c2ccccc2-c2cc([N+](=O)[O-])ccc21

Molecular Weight¹

225.20

CAS

42135-22-8

Other Names

• 3-Nitrofluorenone
• 3-Nitro-9-fluorenone
• 9-Fluorenone, 3-nitro
• 3-nitrofluoren-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°	260.13	kJ/mol	Joback Calculated Property
ΔfH°gas	84.00	kJ/mol	Joback Calculated Property
ΔfusH°	28.48	kJ/mol	Joback Calculated Property
ΔvapH°	71.79	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	2.806		Crippen Calculated Property
McVol	154.640	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[355.07; 363.40]
Inp	355.07		NIST
Inp	355.53		NIST
Inp	363.40		NIST
Inp	355.07		NIST
Inp	363.40		NIST
Tboil	787.67	K	Joback Calculated Property
Tc	1067.93	K	Joback Calculated Property
Tfus	567.72	K	Joback Calculated Property
Vc	0.611	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.34; 470.32]	J/mol×K	[787.67; 1067.93]
Cp,gas	414.34	J/mol×K	787.67	Joback Calculated Property
Cp,gas	425.55	J/mol×K	834.38	Joback Calculated Property
Cp,gas	435.83	J/mol×K	881.09	Joback Calculated Property
Cp,gas	445.32	J/mol×K	927.80	Joback Calculated Property
Cp,gas	454.14	J/mol×K	974.51	Joback Calculated Property
Cp,gas	462.43	J/mol×K	1021.22	Joback Calculated Property
Cp,gas	470.32	J/mol×K	1067.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluoren-9-one, 3-nitro-.

Sources

• 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.