Chemical Properties of 5-Amino-2'-fluoro-2-methylaminobenzophenone (CAS 67739-73-5)

InChI

InChI=1S/C14H13FN2O/c1-17-13-7-6-9(16)8-11(13)14(18)10-4-2-3-5-12(10)15/h2-8,17H,16H2,1H3

InChI Key

JPJCSZZRWRMPRU-UHFFFAOYSA-N

Formula

C14H13FN2O

SMILES

CNc1ccc(N)cc1C(=O)c1ccccc1F

Molecular Weight¹

244.26

CAS

67739-73-5

Other Names

• 2-methylamino-5-amino-2'-fluoro-benzophenone
• Benzophenone, 5-amino-2'-fluoro-2-methylamino

• 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°	95.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-115.07	kJ/mol	Joback Calculated Property
ΔfusH°	33.91	kJ/mol	Joback Calculated Property
ΔvapH°	76.30	kJ/mol	Joback Calculated Property
log10WS	-3.40		Crippen Calculated Property
logPoct/wat	2.681		Crippen Calculated Property
McVol	183.900	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Inp	[2700.00; 2703.00]
Inp	2703.00		NIST
Inp	2700.00		NIST
Inp	2703.00		NIST
Inp	2703.00		NIST
Tboil	763.86	K	Joback Calculated Property
Tc	1003.99	K	Joback Calculated Property
Tfus	524.38	K	Joback Calculated Property
Vc	0.692	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.92; 565.14]	J/mol×K	[763.86; 1003.99]
Cp,gas	503.92	J/mol×K	763.86	Joback Calculated Property
Cp,gas	516.55	J/mol×K	803.88	Joback Calculated Property
Cp,gas	528.14	J/mol×K	843.90	Joback Calculated Property
Cp,gas	538.73	J/mol×K	883.92	Joback Calculated Property
Cp,gas	548.39	J/mol×K	923.94	Joback Calculated Property
Cp,gas	557.17	J/mol×K	963.97	Joback Calculated Property
Cp,gas	565.14	J/mol×K	1003.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Amino-2'-fluoro-2-methylaminobenzophenone.

Sources

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

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