Chemical Properties of Benzphetamine (CAS 156-08-1)

InChI

InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3

InChI Key

YXKTVDFXDRQTKV-UHFFFAOYSA-N

Formula

C17H21N

SMILES

CC(Cc1ccccc1)N(C)Cc1ccccc1

Molecular Weight¹

239.36

CAS

156-08-1

Other Names

• Benzeneethanamine, N,«alpha»-dimethyl-N-(phenylmethyl)-, (+)-
• Phenethylamine, N-benzyl-N,«alpha»-dimethyl-, (+)-
• N-Benzyl-N,«alpha»-dimethylphenethylamine
• Benzaphetamine
• Benzfetamine
• d-Benzphetamine
• N-Benzylmethamphetamine
• (+)-Benzphetamine
• 5411-22-3 (hydrochloride)

• ω : Acentric Factor.
• 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).
• 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
ω	0.4932		Relay (1.0) Calculated Property
ΔfH°gas	181.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.37	kJ/mol	Joback Calculated Property
ΔvapH°	88.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-2.38		Relay (1.0) Calculated Property
logPoct/wat	3.750		Crippen Calculated Property
McVol	212.850	ml/mol	McGowan Calculated Property
Pc	2100.34	kPa	Joback Calculated Property
Inp	[1806.00; 1860.00]
Inp	1860.00		NIST
Inp	1834.00		NIST
Inp	1860.00		NIST
Inp	1806.00		NIST
Inp	1850.00		NIST
Inp	1855.00		NIST
Inp	1807.00		NIST
Inp	1855.00		NIST
Inp	1850.00		NIST
Inp	1806.00		NIST
Inp	1855.00		NIST
I	[2392.00; 2392.00]
I	2392.00		NIST
I	2392.00		NIST
Tboil	600.18	K	Relay (1.0) Calculated Property
Tc	817.67	K	Relay (1.0) Calculated Property
Tfus	295.44	K	Relay (1.0) Calculated Property
Vc	0.773	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.80; 697.89]	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			-9.27480e+01
Coefficient B			1.59084e+00
Coefficient C			-1.07920e-03
Coefficient D			2.79000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.80	J/mol×K	273.00	Calculated Property
Cp,gas	347.34	J/mol×K	353.78	Calculated Property
Cp,gas	417.66	J/mol×K	434.56	Calculated Property
Cp,gas	478.65	J/mol×K	515.33	Calculated Property
Cp,gas	531.18	J/mol×K	596.11	Calculated Property
Cp,gas	576.14	J/mol×K	676.89	Calculated Property
Cp,gas	614.40	J/mol×K	757.67	Calculated Property
Cp,gas	646.86	J/mol×K	838.44	Calculated Property
Cp,gas	674.40	J/mol×K	919.22	Calculated Property
Cp,gas	697.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzphetamine.

Sources

• Cheméo Relay (1.0)
• 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.
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