Chemical Properties of Diphenylamine, 5-chloro-2-methylamino

InChI

InChI=1S/C13H13ClN2/c1-15-12-8-7-10(14)9-13(12)16-11-5-3-2-4-6-11/h2-9,15-16H,1H3

InChI Key

YFSSUNICRFFYOV-UHFFFAOYSA-N

Formula

C13H13ClN2

SMILES

CNc1ccc(Cl)cc1Nc1ccccc1

Molecular Weight¹

232.71

Other Names

• Clobazam, hydrolysis

• 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	0.5843		Relay (1.0) Calculated Property
ΔfG°	430.99	kJ/mol	Joback Calculated Property
ΔfH°gas	157.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.13	kJ/mol	Joback Calculated Property
ΔvapH°	93.54	kJ/mol	Relay (1.0) Calculated Property
IE	6.99	eV	Relay (1.0) Calculated Property
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	4.125		Crippen Calculated Property
McVol	178.710	ml/mol	McGowan Calculated Property
Pc	2937.70	kPa	Joback Calculated Property
Inp	[2225.00; 2250.00]
Inp	2225.00		NIST
Inp	2250.00		NIST
Inp	2225.00		NIST
Inp	2250.00		NIST
Tboil	626.21	K	Relay (1.0) Calculated Property
Tc	948.42	K	Relay (1.0) Calculated Property
Tfus	381.43	K	Relay (1.0) Calculated Property
Vc	0.615	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[449.00; 517.47]	J/mol×K	[697.93; 942.42]
Cp,gas	449.00	J/mol×K	697.93	Joback Calculated Property
Cp,gas	463.01	J/mol×K	738.68	Joback Calculated Property
Cp,gas	475.89	J/mol×K	779.43	Joback Calculated Property
Cp,gas	487.71	J/mol×K	820.17	Joback Calculated Property
Cp,gas	498.53	J/mol×K	860.92	Joback Calculated Property
Cp,gas	508.42	J/mol×K	901.67	Joback Calculated Property
Cp,gas	517.47	J/mol×K	942.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diphenylamine, 5-chloro-2-methylamino.

Sources

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

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