Chemical Properties of 3-Aminopropionitrile (CAS 151-18-8)

InChI

InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2

InChI Key

AGSPXMVUFBBBMO-UHFFFAOYSA-N

Formula

C3H6N2

SMILES

N#CCCN

Molecular Weight¹

70.09

CAS

151-18-8

Other Names

• 3-Aminopropanenitrile
• H2NCH2CH2CN
• «beta»-Aminoethyl cyanide
• «beta»-Aminopropionitrile
• Propanenitrile, 3-amino-
• «beta»-Alaninenitrile
• «beta»-Cyanoethylamine
• Aminopropionitrile
• BAPN
• Propionitrile, 3-amino-
• 2-Cyanoethylamine
• NSC 40641
• 3-aminopropiononitrile

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4916		Relay (1.0) Calculated Property
PAff	866.40	kJ/mol	NIST
BasG	832.50	kJ/mol	NIST
ΔfG°	174.01	kJ/mol	Joback Calculated Property
ΔfH°gas	89.75	kJ/mol	NIST
ΔfusH°	10.23	kJ/mol	Joback Calculated Property
ΔvapH°	50.54	kJ/mol	Relay (1.0) Calculated Property
IE	10.40	eV	Relay (1.0) Calculated Property
log10WS	1.23		Relay (1.0) Calculated Property
logPoct/wat	-0.141		Crippen Calculated Property
McVol	64.490	ml/mol	McGowan Calculated Property
Pc	4602.62	kPa	Joback Calculated Property
Inp	[789.00; 789.00]
Inp	789.00		NIST
Inp	789.00		NIST
Tboil	476.94	K	Relay (1.0) Calculated Property
Tc	669.96	K	Relay (1.0) Calculated Property
Tfus	264.65	K	Relay (1.0) Calculated Property
Vc	0.240	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[90.87; 186.55]	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			2.36520e+01
Coefficient B			2.85500e-01
Coefficient C			-1.51800e-04
Coefficient D			2.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	90.87	J/mol×K	273.00	Calculated Property
Cp,gas	106.95	J/mol×K	353.78	Calculated Property
Cp,gas	121.45	J/mol×K	434.56	Calculated Property
Cp,gas	134.46	J/mol×K	515.33	Calculated Property
Cp,gas	146.09	J/mol×K	596.11	Calculated Property
Cp,gas	156.41	J/mol×K	676.89	Calculated Property
Cp,gas	165.52	J/mol×K	757.67	Calculated Property
Cp,gas	173.53	J/mol×K	838.44	Calculated Property
Cp,gas	180.50	J/mol×K	919.22	Calculated Property
Cp,gas	186.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Aminopropionitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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