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

• 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°	246.56	kJ/mol	Joback Calculated Property
ΔfH°gas	66.26	kJ/mol	Joback Calculated Property
ΔfusH°	32.53	kJ/mol	Joback Calculated Property
ΔvapH°	83.48	kJ/mol	Joback Calculated Property
log10WS	-3.38		Crippen 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	801.50	K	Joback Calculated Property
Tc	1067.22	K	Joback Calculated Property
Tfus	573.04	K	Joback Calculated Property
Vc	0.660	m3/kmol	Joback 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

• 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.