Chemical Properties of Pargyline (CAS 555-57-7)

InChI

InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3

InChI Key

DPWPWRLQFGFJFI-UHFFFAOYSA-N

Formula

C11H13N

SMILES

C#CCN(C)Cc1ccccc1

Molecular Weight¹

159.23

CAS

555-57-7

Other Names

• Benzenemethanamine, N-methyl-N-2-propynyl-
• Benzylamine, N-methyl-N-2-propynyl-
• A 19120
• Eudatin
• MO 911
• N-Methyl-N-Benzylpropynylamine
• N-Methyl-N-propargylbenzylamine
• N-Methyl-N-2-propynylbenzylamine
• Pargylamine
• Pargylin
• Supirdyl
• Benzyl-methyl-2-propinylamin
• N-Benzyl-N-methyl-2-propynylamine
• Paragyline
• Benzylmethylpropargylamine

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	488.00	kJ/mol	Joback Calculated Property
ΔfH°gas	325.59	kJ/mol	Joback Calculated Property
ΔfusH°	24.28	kJ/mol	Joback Calculated Property
ΔvapH°	44.26	kJ/mol	Joback Calculated Property
log10WS	-2.39		Crippen Calculated Property
logPoct/wat	1.752		Crippen Calculated Property
McVol	143.470	ml/mol	McGowan Calculated Property
Pc	3096.73	kPa	Joback Calculated Property
Inp	[1214.00; 1232.00]
Inp	Outlier 1232.00		NIST
Inp	1216.00		NIST
Inp	1216.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1220.00		NIST
Inp	1227.00		NIST
Inp	1214.00		NIST
Inp	1215.00		NIST
I	[1759.00; 1771.00]
I	1759.00		NIST
I	1762.00		NIST
I	1771.00		NIST
Tboil	480.32	K	Joback Calculated Property
Tc	694.40	K	Joback Calculated Property
Tfus	319.59	K	Joback Calculated Property
Vc	0.523	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.82; 379.27]	J/mol×K	[480.32; 694.40]
Cp,gas	299.82	J/mol×K	480.32	Joback Calculated Property
Cp,gas	315.45	J/mol×K	516.00	Joback Calculated Property
Cp,gas	330.05	J/mol×K	551.68	Joback Calculated Property
Cp,gas	343.67	J/mol×K	587.36	Joback Calculated Property
Cp,gas	356.38	J/mol×K	623.04	Joback Calculated Property
Cp,gas	368.23	J/mol×K	658.72	Joback Calculated Property
Cp,gas	379.27	J/mol×K	694.40	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[360.20; 369.70]	K	[0.50; 1.50]
Tboilr	360.20	K	0.50	NIST
Tboilr	369.70	K	1.50	NIST

Similar Compounds

Find more compounds similar to Pargyline.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.