Chemical Properties of Aletamine (CAS 4255-23-6)

InChI

InChI=1S/C11H15N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9,12H2

InChI Key

WQKXQJYCZMWOSD-UHFFFAOYSA-N

Formula

C11H15N

SMILES

C=CCC(N)Cc1ccccc1

Molecular Weight¹

161.24

CAS

4255-23-6

Other Names

• Alfetamine
• Benzeneethanamine, «alpha»-2-propenyl-
• «alpha»-2-Propenyl benzeneethanamine
• «alpha»-Allylphenethylamine

• 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	0.4345		Relay (1.0) Calculated Property
ΔfH°gas	105.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.68	kJ/mol	Joback Calculated Property
ΔvapH°	65.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-1.97		Relay (1.0) Calculated Property
logPoct/wat	2.133		Crippen Calculated Property
McVol	147.770	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[1293.00; 1320.00]
Inp	1320.00		NIST
Inp	1311.00		NIST
Inp	1311.00		NIST
Inp	1293.00		NIST
Inp	1293.00		NIST
I	[1814.00; 1814.00]
I	1814.00		NIST
I	1814.00		NIST
Tboil	510.17	K	Relay (1.0) Calculated Property
Tc	719.90	K	Relay (1.0) Calculated Property
Tfus	262.45	K	Relay (1.0) Calculated Property
Vc	0.500	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	[191.83; 476.30]	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			-3.91980e+01
Coefficient B			1.01770e+00
Coefficient C			-6.75300e-04
Coefficient D			1.73100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.83	J/mol×K	273.00	Calculated Property
Cp,gas	243.99	J/mol×K	353.78	Calculated Property
Cp,gas	289.73	J/mol×K	434.56	Calculated Property
Cp,gas	329.61	J/mol×K	515.33	Calculated Property
Cp,gas	364.16	J/mol×K	596.11	Calculated Property
Cp,gas	393.95	J/mol×K	676.89	Calculated Property
Cp,gas	419.51	J/mol×K	757.67	Calculated Property
Cp,gas	441.39	J/mol×K	838.44	Calculated Property
Cp,gas	460.14	J/mol×K	919.22	Calculated Property
Cp,gas	476.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Aletamine.

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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