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_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
ΔfusH°	33.91	kJ/mol	Joback Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	2.681		Crippen Calculated Property
McVol	183.900	ml/mol	McGowan Calculated Property
Inp	[2700.00; 2703.00]
Inp	2703.00		NIST
Inp	2700.00		NIST
Inp	2703.00		NIST
Inp	2703.00		NIST
Tboil	642.62	K	Relay (1.0) Calculated Property
Tfus	408.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.29; 564.38]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.60200e+01
Coefficient B			1.11942e+00
Coefficient C			-6.88780e-04
Coefficient D			1.49760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.29	J/mol×K	273.00	Calculated Property
Cp,gas	300.43	J/mol×K	353.78	Calculated Property
Cp,gas	352.65	J/mol×K	434.56	Calculated Property
Cp,gas	398.43	J/mol×K	515.33	Calculated Property
Cp,gas	438.25	J/mol×K	596.11	Calculated Property
Cp,gas	472.56	J/mol×K	676.89	Calculated Property
Cp,gas	501.86	J/mol×K	757.67	Calculated Property
Cp,gas	526.62	J/mol×K	838.44	Calculated Property
Cp,gas	547.30	J/mol×K	919.22	Calculated Property
Cp,gas	564.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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