Chemical Properties of Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-

InChI

InChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

InChI Key

GTGMXPIQRQSORU-UHFFFAOYSA-N

Formula

C13H9ClFNO

SMILES

Nc1ccc(Cl)cc1C(=O)c1ccccc1F

Molecular Weight¹

249.67

Other Names

• 2-Amino-2'-fluoro-5-chlorobenzophenone
• 2-Amino-5-chloro-2'-fluorobenzophenone
• Benzophenone, 2-amino-5-chloro-2'-fluoro-
• 2-amino-5-chlor-2'-fluor-benzophenone

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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	-180.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.41	kJ/mol	Joback Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	3.292		Crippen Calculated Property
McVol	172.070	ml/mol	McGowan Calculated Property
Inp	[2004.00; 2047.00]
Inp	2004.00		NIST
Inp	2047.00		NIST
Inp	2045.00		NIST
Inp	2004.00		NIST
Tboil	626.83	K	Relay (1.0) Calculated Property
Tfus	382.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[425.70; 480.90]	J/mol×K	[728.44; 979.00]
Cp,gas	425.70	J/mol×K	728.44	Joback Calculated Property
Cp,gas	437.24	J/mol×K	770.20	Joback Calculated Property
Cp,gas	447.76	J/mol×K	811.96	Joback Calculated Property
Cp,gas	457.33	J/mol×K	853.72	Joback Calculated Property
Cp,gas	466.00	J/mol×K	895.48	Joback Calculated Property
Cp,gas	473.84	J/mol×K	937.24	Joback Calculated Property
Cp,gas	480.90	J/mol×K	979.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-.

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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