Chemical Properties of Protriptyline (CAS 438-60-8)

InChI

InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3

InChI Key

BWPIARFWQZKAIA-UHFFFAOYSA-N

Formula

C19H21N

SMILES

CNCCCC1c2ccccc2C=Cc2ccccc21

Molecular Weight¹

263.38

CAS

438-60-8

Other Names

• 5H-Dibenzo[a,d]cycloheptene-5-propanamine, N-methyl-
• 5H-Dibenzo[a,d]cycloheptene-5-propylamine, N-methyl-
• Amimetilina
• MK 240
• Protryptyline
• Triptil
• 5-(3-Methylaminopropyl)-5H-Dibenzo[a,d]cycloheptene
• 7-(3-Methylaminopropyl)-1,2:5,6-dibenzocycloheptatriene
• N-3-(5H-Dibenzo(a,d)cyclohepten-5-yl)propyl-N-methylamine
• N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propylamine

• 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.
• 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°	494.76	kJ/mol	Joback Calculated Property
ΔfH°gas	198.68	kJ/mol	Joback Calculated Property
ΔfusH°	36.73	kJ/mol	Joback Calculated Property
ΔvapH°	70.41	kJ/mol	Joback Calculated Property
log10WS	-5.25		Crippen Calculated Property
logPoct/wat	4.302		Crippen Calculated Property
McVol	225.870	ml/mol	McGowan Calculated Property
Pc	2009.10	kPa	Joback Calculated Property
Inp	[2207.00; 2319.20]
Inp	2254.00		NIST
Inp	2246.00		NIST
Inp	Outlier 2319.20		NIST
Inp	2251.00		NIST
Inp	2226.00		NIST
Inp	2226.00		NIST
Inp	2207.00		NIST
Inp	2230.00		NIST
Inp	2261.00		NIST
Inp	2265.00		NIST
Inp	2246.00		NIST
Inp	Outlier 2319.20		NIST
Inp	2230.00		NIST
Tboil	753.51	K	Joback Calculated Property
Tc	986.87	K	Joback Calculated Property
Tfus	453.13	K	Joback Calculated Property
Vc	0.862	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.24; 737.71]	J/mol×K	[753.51; 986.87]
Cp,gas	649.24	J/mol×K	753.51	Joback Calculated Property
Cp,gas	666.69	J/mol×K	792.40	Joback Calculated Property
Cp,gas	682.91	J/mol×K	831.30	Joback Calculated Property
Cp,gas	698.00	J/mol×K	870.19	Joback Calculated Property
Cp,gas	712.09	J/mol×K	909.08	Joback Calculated Property
Cp,gas	725.29	J/mol×K	947.97	Joback Calculated Property
Cp,gas	737.71	J/mol×K	986.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Protriptyline.

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.