Chemical Properties of 2-amino-3-hydroxy-5-chloro-benzophenone

InChI

InChI=1S/C13H10ClNO2/c14-9-6-10(12(15)11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,16H,15H2

InChI Key

XJFFXSCDIWNOAH-UHFFFAOYSA-N

Formula

C13H10ClNO2

SMILES

Nc1c(O)cc(Cl)cc1C(=O)c1ccccc1

Molecular Weight¹

247.68

Other Names

• Benzophenone, 2-amino-5-chloro-3-hydroxy

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-163.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.51	kJ/mol	Joback Calculated Property
ΔvapH°	108.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-3.54		Relay (1.0) Calculated Property
logPoct/wat	2.859		Crippen Calculated Property
McVol	176.170	ml/mol	McGowan Calculated Property
Pc	3896.50	kPa	Joback Calculated Property
Inp	[2360.00; 2390.00]
Inp	2360.00		NIST
Inp	2382.00		NIST
Inp	2390.00		NIST
Inp	2360.00		NIST
Inp	2390.00		NIST
Tboil	635.37	K	Relay (1.0) Calculated Property
Tc	956.83	K	Relay (1.0) Calculated Property
Tfus	471.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[223.44; 502.56]	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			-3.03200e+01
Coefficient B			1.15730e+00
Coefficient C			-9.13180e-04
Coefficient D			2.88760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.44	J/mol×K	273.00	Calculated Property
Cp,gas	277.60	J/mol×K	353.78	Calculated Property
Cp,gas	323.84	J/mol×K	434.56	Calculated Property
Cp,gas	363.08	J/mol×K	515.33	Calculated Property
Cp,gas	396.23	J/mol×K	596.11	Calculated Property
Cp,gas	424.20	J/mol×K	676.89	Calculated Property
Cp,gas	447.90	J/mol×K	757.67	Calculated Property
Cp,gas	468.26	J/mol×K	838.44	Calculated Property
Cp,gas	486.17	J/mol×K	919.22	Calculated Property
Cp,gas	502.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-amino-3-hydroxy-5-chloro-benzophenone.

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.
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