Chemical Properties of 2-Amino-5-bromo-2'-fluorobenzophenone (CAS 1479-58-9)

InChI

InChI=1S/C13H9BrFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

InChI Key

XCOKDXNGCQXFCV-UHFFFAOYSA-N

Formula

C13H9BrFNO

SMILES

Nc1ccc(Br)cc1C(=O)c1ccccc1F

Molecular Weight¹

294.12

CAS

1479-58-9

Other Names

• 2-Amino-2'-fluoro-5-bromobenzophenone
• Methanone, (2-amino-5-bromophenyl)(2-fluorophenyl)-

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.6285		Relay (1.0) Calculated Property
ΔfG°	11.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.50	kJ/mol	Joback Calculated Property
ΔvapH°	95.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-4.54		Relay (1.0) Calculated Property
logPoct/wat	3.401		Crippen Calculated Property
McVol	177.330	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
Inp	[2079.00; 2090.00]
Inp	2079.00		NIST
Inp	2090.00		NIST
Inp	2079.00		NIST
Tboil	636.68	K	Relay (1.0) Calculated Property
Tc	921.07	K	Relay (1.0) Calculated Property
Tfus	388.00	K	Relay (1.0) Calculated Property
Vc	0.615	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.43; 487.32]	J/mol×K	[756.97; 1015.29]
Cp,gas	434.43	J/mol×K	756.97	Joback Calculated Property
Cp,gas	445.49	J/mol×K	800.02	Joback Calculated Property
Cp,gas	455.54	J/mol×K	843.08	Joback Calculated Property
Cp,gas	464.68	J/mol×K	886.13	Joback Calculated Property
Cp,gas	472.97	J/mol×K	929.18	Joback Calculated Property
Cp,gas	480.49	J/mol×K	972.24	Joback Calculated Property
Cp,gas	487.32	J/mol×K	1015.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Amino-5-bromo-2'-fluorobenzophenone.

Sources

• Cheméo Relay (1.0)
• 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.