Chemical Properties of Phenelzine (CAS 51-71-8)

InChI

InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2

InChI Key

RMUCZJUITONUFY-UHFFFAOYSA-N

Formula

C8H12N2

SMILES

NNCCc1ccccc1

Molecular Weight¹

136.19

CAS

51-71-8

Other Names

• Hydrazine, (2-phenylethyl)-
• Hydrazine, phenethyl-
• «beta»-Phenylethylhydrazine
• Phenethylhydrazine
• Stinerval
• W 1544-A
• W-1544
• 2-Phenylethylhydrazine
• Fenelzyna
• Fenelzyne
• 2-Phenethylhydrazine
• Phenalzine
• Phenylethylhydrazine
• 1-(2-Phenethyl)hydrazine
• 1-Hydrazino-2-phenylethane
• Phenelezine

• 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	0.4667		Relay (1.0) Calculated Property
ΔfG°	284.73	kJ/mol	Joback Calculated Property
ΔfH°gas	220.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.81	kJ/mol	Joback Calculated Property
ΔvapH°	69.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-0.36		Relay (1.0) Calculated Property
logPoct/wat	0.692		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3980.54	kPa	Joback Calculated Property
Inp	[1328.00; 1340.00]
Inp	1328.00		NIST
Inp	1329.00		NIST
Inp	1330.00		NIST
Inp	1340.00		NIST
Inp	1335.00		NIST
Inp	1330.00		NIST
Tboil	532.88	K	Relay (1.0) Calculated Property
Tc	754.91	K	Relay (1.0) Calculated Property
Tfus	289.27	K	Relay (1.0) Calculated Property
Vc	0.420	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.49; 386.39]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.30080e+01
Coefficient B			8.23000e-01
Coefficient C			-5.34600e-04
Coefficient D			1.31000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.49	J/mol×K	273.00	Calculated Property
Cp,gas	197.04	J/mol×K	353.78	Calculated Property
Cp,gas	234.43	J/mol×K	434.56	Calculated Property
Cp,gas	267.07	J/mol×K	515.33	Calculated Property
Cp,gas	295.37	J/mol×K	596.11	Calculated Property
Cp,gas	319.76	J/mol×K	676.89	Calculated Property
Cp,gas	340.64	J/mol×K	757.67	Calculated Property
Cp,gas	358.43	J/mol×K	838.44	Calculated Property
Cp,gas	373.54	J/mol×K	919.22	Calculated Property
Cp,gas	386.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenelzine.

Sources

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

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