Chemical Properties of Benzophenone, 2,5-diamino-2'-chloro- (CAS 58479-51-9)

InChI

InChI=1S/C13H11ClN2O/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7H,15-16H2

InChI Key

HMTGFGCXWOUKTO-UHFFFAOYSA-N

Formula

C13H11ClN2O

SMILES

Nc1ccc(N)c(C(=O)c2ccccc2Cl)c1

Molecular Weight¹

246.69

CAS

58479-51-9

Other Names

• Benzophenone, 2'-chloro-2,5-diamino

• 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	0.7063		Relay (1.0) Calculated Property
ΔfG°	246.56	kJ/mol	Joback Calculated Property
ΔfH°gas	2.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.53	kJ/mol	Joback Calculated Property
ΔvapH°	105.98	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) Calculated Property
logPoct/wat	2.735		Crippen Calculated Property
McVol	180.280	ml/mol	McGowan Calculated Property
Pc	3423.86	kPa	Joback Calculated Property
Inp	[2330.00; 2345.00]
Inp	2345.00		NIST
Inp	2345.00		NIST
Inp	2330.00		NIST
Inp	2345.00		NIST
Tboil	657.63	K	Relay (1.0) Calculated Property
Tc	984.82	K	Relay (1.0) Calculated Property
Tfus	417.50	K	Relay (1.0) Calculated Property
Vc	0.627	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[471.21; 523.20]	J/mol×K	[801.50; 1067.22]
Cp,gas	471.21	J/mol×K	801.50	Joback Calculated Property
Cp,gas	482.31	J/mol×K	845.79	Joback Calculated Property
Cp,gas	492.34	J/mol×K	890.07	Joback Calculated Property
Cp,gas	501.37	J/mol×K	934.36	Joback Calculated Property
Cp,gas	509.47	J/mol×K	978.65	Joback Calculated Property
Cp,gas	516.72	J/mol×K	1022.94	Joback Calculated Property
Cp,gas	523.20	J/mol×K	1067.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 2,5-diamino-2'-chloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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