Chemical Properties of Phenethylamine, «alpha»-methyl-N-propyl- (CAS 51799-32-7)

InChI

InChI=1S/C12H19N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3

InChI Key

SNPGTHLGFHVIDA-UHFFFAOYSA-N

Formula

C12H19N

SMILES

CCCNC(C)Cc1ccccc1

Molecular Weight¹

177.29

CAS

51799-32-7

Other Names

• 1-Phenyl-2-n-propylamino-propane
• «alpha» Phenyl-«beta» propylamino propane
• 1-Phenyl-2-propylaminopropane
• N-n-Propylamphetamine
• N-Propylamphetamine
• Propylamphetamine
• 26640-61-9

• ω : Acentric Factor.
• 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).
• 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	0.4732		Relay (1.0) Calculated Property
ΔfG°	249.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-0.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.45	kJ/mol	Joback Calculated Property
ΔvapH°	64.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-1.46		Relay (1.0) Calculated Property
logPoct/wat	2.617		Crippen Calculated Property
McVol	166.160	ml/mol	McGowan Calculated Property
Pc	2455.60	kPa	Joback Calculated Property
Inp	[1318.00; 1333.50]
Inp	1325.00		NIST
Inp	1326.00		NIST
Inp	1326.00		NIST
Inp	1333.50		NIST
Inp	1318.00		NIST
Inp	1324.00		NIST
Inp	1325.00		NIST
Inp	1318.00		NIST
Inp	1333.50		NIST
I	[1634.00; 1634.00]
I	1634.00		NIST
I	1634.00		NIST
I	1634.00		NIST
Tboil	512.44	K	Relay (1.0) Calculated Property
Tc	707.66	K	Relay (1.0) Calculated Property
Tfus	254.79	K	Relay (1.0) Calculated Property
Vc	0.602	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.66; 557.32]	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			-4.48170e+01
Coefficient B			1.14704e+00
Coefficient C			-7.12000e-04
Coefficient D			1.67100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.66	J/mol×K	273.00	Calculated Property
Cp,gas	279.27	J/mol×K	353.78	Calculated Property
Cp,gas	332.89	J/mol×K	434.56	Calculated Property
Cp,gas	380.07	J/mol×K	515.33	Calculated Property
Cp,gas	421.33	J/mol×K	596.11	Calculated Property
Cp,gas	457.20	J/mol×K	676.89	Calculated Property
Cp,gas	488.21	J/mol×K	757.67	Calculated Property
Cp,gas	514.88	J/mol×K	838.44	Calculated Property
Cp,gas	537.74	J/mol×K	919.22	Calculated Property
Cp,gas	557.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenethylamine, «alpha»-methyl-N-propyl-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.