Chemical Properties of Tranylcypromine (CAS 155-09-9)

InChI

InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1

InChI Key

AELCINSCMGFISI-BDAKNGLRSA-N

Formula

C9H11N

SMILES

NC1CC1c1ccccc1

Molecular Weight¹

133.19

CAS

155-09-9

Other Names

• Cyclopropanamine, 2-phenyl-, trans-(.+/-.)-

• 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_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°	256.80	kJ/mol	Joback Calculated Property
ΔfH°gas	93.69	kJ/mol	Joback Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	48.15	kJ/mol	Joback Calculated Property
log10WS	-2.10		Crippen Calculated Property
logPoct/wat	1.501		Crippen Calculated Property
McVol	113.030	ml/mol	McGowan Calculated Property
Pc	3920.94	kPa	Joback Calculated Property
Inp	[1195.00; 1271.00]
Inp	1206.00		NIST
Inp	1225.00		NIST
Inp	1225.00		NIST
Inp	1195.00		NIST
Inp	1210.00		NIST
Inp	1198.00		NIST
Inp	1198.00		NIST
Inp	1210.00		NIST
Inp	1235.00		NIST
Inp	1248.00		NIST
Inp	1259.00		NIST
Inp	1259.00		NIST
Inp	Outlier 1271.00		NIST
Inp	1223.00		NIST
Inp	1198.00		NIST
Inp	1210.00		NIST
Inp	1195.00		NIST
I	[1834.00; 1904.00]
I	1834.00		NIST
I	1834.00		NIST
I	1850.00		NIST
I	1852.00		NIST
I	1860.00		NIST
I	Outlier 1904.00		NIST
I	1834.00		NIST
Tboil	506.60	K	Joback Calculated Property
Tc	743.89	K	Joback Calculated Property
Tfus	314.57	K	Joback Calculated Property
Vc	0.416	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.94; 335.27]	J/mol×K	[506.60; 743.89]
Cp,gas	257.94	J/mol×K	506.60	Joback Calculated Property
Cp,gas	273.48	J/mol×K	546.15	Joback Calculated Property
Cp,gas	287.86	J/mol×K	585.70	Joback Calculated Property
Cp,gas	301.16	J/mol×K	625.25	Joback Calculated Property
Cp,gas	313.44	J/mol×K	664.79	Joback Calculated Property
Cp,gas	324.78	J/mol×K	704.34	Joback Calculated Property
Cp,gas	335.27	J/mol×K	743.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tranylcypromine.

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.