Chemical Properties of Benzophenone, 2-amino-2'-fluoro-5-nitro (CAS 344-80-9)

InChI

InChI=1S/C13H9FN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2

InChI Key

ZTEHQPVGEHUXHI-UHFFFAOYSA-N

Formula

C13H9FN2O3

SMILES

Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F

Molecular Weight¹

260.22

CAS

344-80-9

Other Names

• 2-amino-5-nitro-2'-fluorobenzophenone
• 2-Amino-2'-fluoro-5-nitrobenzophenone

• 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°	32.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-158.66	kJ/mol	Joback Calculated Property
ΔfusH°	37.58	kJ/mol	Joback Calculated Property
ΔvapH°	84.23	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	2.547		Crippen Calculated Property
McVol	177.250	ml/mol	McGowan Calculated Property
Pc	3220.98	kPa	Joback Calculated Property
Inp	[2335.00; 2401.00]
Inp	2401.00		NIST
Inp	2344.00		NIST
Inp	2335.00		NIST
Inp	2363.00		NIST
Inp	2363.00		NIST
Inp	2335.00		NIST
Inp	2401.00		NIST
Tboil	842.65	K	Joback Calculated Property
Tc	1107.48	K	Joback Calculated Property
Tfus	604.06	K	Joback Calculated Property
Vc	0.682	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[490.76; 537.01]	J/mol×K	[842.65; 1107.48]
Cp,gas	490.76	J/mol×K	842.65	Joback Calculated Property
Cp,gas	500.87	J/mol×K	886.79	Joback Calculated Property
Cp,gas	509.92	J/mol×K	930.93	Joback Calculated Property
Cp,gas	517.98	J/mol×K	975.06	Joback Calculated Property
Cp,gas	525.13	J/mol×K	1019.20	Joback Calculated Property
Cp,gas	531.45	J/mol×K	1063.34	Joback Calculated Property
Cp,gas	537.01	J/mol×K	1107.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 2-amino-2'-fluoro-5-nitro.

Sources

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

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