Chemical Properties of N-Acetyltranylcypromine (CAS 78682-61-8)

InChI

InChI=1S/C11H13NO/c1-8(13)12-11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,12,13)

InChI Key

OKNYZIGDRLPEEJ-UHFFFAOYSA-N

Formula

C11H13NO

SMILES

CC(=O)NC1CC1c1ccccc1

Molecular Weight¹

175.23

CAS

78682-61-8

Other Names

• Tranylcypromine acetate
• N-(2-Phenylcyclopropyl)acetamide
• Tranylcypromine, acetylated

• 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	0.4612		Relay (1.0) Calculated Property
ΔfG°	167.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.19	kJ/mol	Joback Calculated Property
ΔvapH°	80.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-2.10		Relay (1.0) Calculated Property
logPoct/wat	1.679		Crippen Calculated Property
McVol	142.780	ml/mol	McGowan Calculated Property
Pc	3191.93	kPa	Joback Calculated Property
Inp	[1636.00; 1695.00]
Inp	1695.00		NIST
Inp	1636.00		NIST
Tboil	552.42	K	Relay (1.0) Calculated Property
Tc	797.30	K	Relay (1.0) Calculated Property
Tfus	322.54	K	Relay (1.0) Calculated Property
Vc	0.512	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[358.36; 437.06]	J/mol×K	[583.87; 810.97]
Cp,gas	358.36	J/mol×K	583.87	Joback Calculated Property
Cp,gas	374.07	J/mol×K	621.72	Joback Calculated Property
Cp,gas	388.64	J/mol×K	659.57	Joback Calculated Property
Cp,gas	402.16	J/mol×K	697.42	Joback Calculated Property
Cp,gas	414.68	J/mol×K	735.27	Joback Calculated Property
Cp,gas	426.29	J/mol×K	773.12	Joback Calculated Property
Cp,gas	437.06	J/mol×K	810.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Acetyltranylcypromine.

Sources

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

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