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_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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	171.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	60.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-1.82		Relay (1.0) Calculated Property
logPoct/wat	1.501		Crippen Calculated Property
McVol	113.030	ml/mol	McGowan 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	1210.00		NIST
Inp	1195.00		NIST
Inp	1198.00		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	488.74	K	Relay (1.0) Calculated Property
Tfus	295.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.35; 387.49]	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			-7.70100e+01
Coefficient B			9.66200e-01
Coefficient C			-7.05200e-04
Coefficient D			2.03500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.35	J/mol×K	273.00	Calculated Property
Cp,gas	185.56	J/mol×K	353.78	Calculated Property
Cp,gas	226.39	J/mol×K	434.56	Calculated Property
Cp,gas	261.48	J/mol×K	515.33	Calculated Property
Cp,gas	291.47	J/mol×K	596.11	Calculated Property
Cp,gas	317.01	J/mol×K	676.89	Calculated Property
Cp,gas	338.73	J/mol×K	757.67	Calculated Property
Cp,gas	357.29	J/mol×K	838.44	Calculated Property
Cp,gas	373.33	J/mol×K	919.22	Calculated Property
Cp,gas	387.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tranylcypromine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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