Chemical Properties of Clorgiline (CAS 17780-72-2)

InChI

InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3

InChI Key

BTFHLQRNAMSNLC-UHFFFAOYSA-N

Formula

C13H15Cl2NO

SMILES

C#CCN(C)CCCOc1ccc(Cl)cc1Cl

Molecular Weight¹

272.17

CAS

17780-72-2

Other Names

• 2-Propynylamine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-
• Chlorgyline
• Clorgyline
• N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamine
• M & B 9302
• 2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.84; 545.69]	J/mol×K	[633.32; 848.84]
Cp,gas	473.84	J/mol×K	633.32	Joback Calculated Property
Cp,gas	487.89	J/mol×K	669.24	Joback Calculated Property
Cp,gas	501.06	J/mol×K	705.16	Joback Calculated Property
Cp,gas	513.38	J/mol×K	741.08	Joback Calculated Property
Cp,gas	524.91	J/mol×K	777.00	Joback Calculated Property
Cp,gas	535.66	J/mol×K	812.92	Joback Calculated Property
Cp,gas	545.69	J/mol×K	848.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Clorgiline.

Sources

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

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