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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.64; 422.62]	J/mol×K	[546.73; 768.41]
Cp,gas	343.64	J/mol×K	546.73	Joback Calculated Property
Cp,gas	359.17	J/mol×K	583.68	Joback Calculated Property
Cp,gas	373.68	J/mol×K	620.62	Joback Calculated Property
Cp,gas	387.23	J/mol×K	657.57	Joback Calculated Property
Cp,gas	399.87	J/mol×K	694.52	Joback Calculated Property
Cp,gas	411.65	J/mol×K	731.47	Joback Calculated Property
Cp,gas	422.62	J/mol×K	768.41	Joback 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

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